SCHEMBL4060712

SCHEMBL4060712

NC1CC(c2ccccc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.56
MAOB P27338 9/20 0.50
KDM1A O60341 6/20 0.50
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MAOA P21397 7/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2B6 P20813 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
HTR2C P28335 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4060717 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL4060709 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL7619930 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL7619926 1.00 SIGMAR1 (0.56) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL16536407 0.98 SIGMAR1 (0.58) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL16535577 0.98 SIGMAR1 (0.58) SIGMAR1MAOBKDM1ASLC6A2SLC6A3
SCHEMBL21694733 0.84 HTR2A (0.49) SIGMAR1KDM1AHTR2CHTR2AHTR2B
SCHEMBL21694751 0.84 HTR2A (0.49) SIGMAR1KDM1AHTR2CHTR2AHTR2B
SCHEMBL1388099 0.84 SIGMAR1 (0.55) SIGMAR1HTR2CHTR2AHTR2BHRH3
SCHEMBL5815432 0.81 SLC6A2 (0.62) SIGMAR1MAOBKDM1ASLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002500211-A 2002-01-08 JP claimed
US-6268535-B1 REACTING BENZENE SUBSTITUTED UNSATURATED CARBOXYLIC ACID IN PRESENCE OF FRIEDEL-CRAFT CATALYST WITH BENZENE COMPOUND TO FORM 3-ARYL-3-PHENYL-1-PROPANOIC ACID REACTING TO FORM 3-ARYL INDAN; REDUCING, REACTING WITH AMINE TO FORM 3-ARYLINDANAMINE PHARM-ECO LABORATORIES, INC. 2001-07-31 US claimed
EP-1044184-A1 SYNTHESIS OF 3-ARYL-1-INDANAMINES Pharm-Eco Laboratoires, Incorporated (US) 2000-10-18 EP claimed
WO-1999035119-A1 SYNTHESIS OF 3-ARYL-1-INDANAMINES PHARM-ECO LABORATORIES, INC. (US) 1999-07-15 WO claimed
EP-0076669-A1 Novel 3-phenyl-1-indanamines, pharmaceutical compositions and methods of preparation KEFALAS A/S (DK) 1983-04-13 EP claimed
EP-3830253-A1 AN OMEGA-TRANSAMINASE ENZYME University College Cork-National University of Ireland Cork (IE) 2021-06-09 EP disclosed
WO-2020025646-A1 AN OMEGA-TRANSAMINASE ENZYME UNIVERSITY COLLEGE CORK - NATIONAL UNIVERSITY OF IRELAND, CORK (IE) 2020-02-06 WO disclosed
EP-3604507-A1 AN OMEGA-TRANSAMINASE ENZYME University College Cork-National University of Ireland, Cork (IE) 2020-02-05 EP disclosed
EP-2061748-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS Office Of Intellectual Property And Technology (US) 2009-05-27 EP disclosed
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP disclosed
WO-2008027740-A2 CATALYTIC ASYMMETRIC SYNTHESIS OF PRIMARY AMINES VIA BORANE REDUCTION OF OXIME ETHERS USING SPIROBORATE ESTERS OFFICE OF INTELLECTUAL PROPERTY AND TECHNOLOGY (US) 2008-03-06 WO disclosed
EP-1347967-B1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 EP disclosed
WO-1996039399-A1 STEREOSELECTIVE METHOD FOR SYNTHESIZING DOLAPHENINE PHARM-ECO LABORATORIES, INC. (US) 1996-12-12 WO disclosed
EP-0144235-A2 N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-06-12 EP disclosed
EP-0035363-B1 INDANE DERIVATIVES, METHODS OF THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM KEFALAS A/S (DK) 1985-05-02 EP disclosed
US-4443448-A ANALGESICS, ANTIDEPRESSANTS, NEUROLEPTICS KEFALAS A/S (DK) 1984-04-17 US disclosed
EP-0076669-A1 Novel 3-phenyl-1-indanamines, pharmaceutical compositions and methods of preparation KEFALAS A/S (DK) 1983-04-13 EP disclosed
EP-0076669-A1 Novel 3-phenyl-1-indanamines, pharmaceutical compositions and methods of preparation KEFALAS A/S (DK) 1983-04-13 EP disclosed
EP-0076669-A1 Novel 3-phenyl-1-indanamines, pharmaceutical compositions and methods of preparation KEFALAS A/S (DK) 1983-04-13 EP disclosed
EP-0035363-A1 Indane derivatives, methods of their preparation and compositions containing them KEFALAS A/S (DK) 1981-09-09 EP disclosed