SCHEMBL5844

SCHEMBL5844

Cn1nnc(-c2cc[c]cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
PPARA Q07869 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL344042 0.79 RAB9A (0.53) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL1823663 0.78 PPARA (0.40) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5503548 0.78 KMT2A (0.54) SMN1; SMN2KMT2ALMNA
SCHEMBL13841588 0.78 NPC1 (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5507744 0.77 LMNA (0.64) SMN1; SMN2RAB9AKMT2ALMNATRPM8
Ammonia Solution, Strong SCHEMBL28862490 0.76 LTA4H (0.50) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2611131 0.76 LMNA (0.49) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2644715 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2611134 0.76 KMT2A (0.54) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL5043401 0.76 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023122587-A2 TRIPEPTIDE LINKERS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-06-29 WO claimed
WO-2014002110-A1 SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. RALLIS INDIA LIMITED (IN) 2014-01-03 WO claimed
EP-0900210-B1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 2005-02-09 EP claimed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US claimed
WO-1997046514-A1 PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES NOVARTIS AG (CH) 1997-12-11 WO claimed
WO-2023122587-A2 TRIPEPTIDE LINKERS AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-06-29 WO disclosed
US-8969552-B2 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor AbbVie Deutschland GmbH & Co. KG (DE) 2015-03-03 US disclosed
EP-2439203-B1 Arylsulfonylmethyl or arylsulfonamide substituted aromatic compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND (DE) 2014-11-19 EP disclosed
CN-101039904-B Is suitable for treating dopamine D3Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG 2014-09-24 CN disclosed
WO-2014002110-A1 SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. RALLIS INDIA LIMITED (IN) 2014-01-03 WO disclosed
EP-1812416-B1 ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-08-21 EP disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-5912352-A CATALYTIC REDUCTION OF HYDRAZIDE TO HYDRAZINE DERIVATIVE IN PRESENCE OF COMPLEX HYDRIDE; ACYL MIGRATION; HYDROGENATION; CATALYST SELECTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-06-15 US disclosed
EP-0900210-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES Novartis AG (CH) 1999-03-10 EP disclosed
US-5849911-A Antivirally active heterocyclic azahexane derivatives NOVARTIS FINANCE CORPORATION (US) 1998-12-15 US disclosed
CN-1184405-A Insecticidal N -(substituted arylmethyl) -4 -[bis (substituted phenyl or pyridyl) methyl] piperidines FMC CORP (US) 1998-06-10 CN disclosed
WO-1997046514-A1 PROCESS FOR THE PREPARATION OF HYDRAZINE DERIVATIVES USEFUL AS INTERMEDIATES FOR THE PREPARATION OF PEPTIDE ANALOGUES NOVARTIS AG (CH) 1997-12-11 WO disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed