SCHEMBL347687

SCHEMBL347687

O=[C]Cc1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
AHR P35869 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
CHEK1 O14757 1/20 0.44
KDR P35968 1/20 0.44
FLT3 P36888 1/20 0.44
CYP2A6 P11509 1/20 0.44
AOC3 Q16853 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
DAO P14920 1/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1308753 0.85 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL1160528 0.81 LOXL2 (0.55) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL5262099 0.81 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL30939452 0.81 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL396373 0.81 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL29851915 0.81 LOXL2 (0.58) LOXL2MTNR1AMTNR1BHRH3AHR
Methane SCHEMBL29165338 0.79 LOXL2 (0.56) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL6713425 0.79 LOXL2 (0.51) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL31230610 0.78 LOXL2 (0.55) LOXL2MTNR1AMTNR1BHRH3AHR
SCHEMBL3022232 0.78 LOXL2 (0.64) LOXL2MTNR1AMTNR1BHRH3AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4681737-B2 2011-05-11 JP claimed
US-6777408-B1 AFFINITY AND SELECTIVITY FOR SOMATOSTATIN RECEPTORS; SUCH AS 5-(2-CHLOROPHENYL)-1,3,6,7,8,9-HEXAHYDRO-1-(2-PHENYLETHYL)-2H -PYRIDO(4',3':4,5)THIENO(2,3-E)-1,4-DIAZEPINE-2-ONE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-08-17 US claimed
EP-1171444-B1 PYRIDO-THIENO-DIAZEPINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PYRIDO-THIENO-DIAZEPINES SOD CONSEILS RECH APPLIC (FR) 2003-07-02 EP claimed
EP-1171444-A1 PYRIDO-THIENO-DIAZEPINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PYRIDO-THIENO-DIAZEPINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-16 EP claimed
WO-2000061587-A1 PYRIDO-THIENO-DIAZEPINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID PYRIDO-THIENO-DIAZEPINES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-19 WO claimed
EP-0594540-B1 Antiretroviral acyl compounds CIBA GEIGY AG (CH) 1998-04-01 EP claimed
EP-0594540-A1 Antiretroviral acyl compounds CIBA-GEIGY AG (CH) 1994-04-27 EP claimed
EP-0315367-B1 Polypeptides ICI PLC (GB) 1994-04-06 EP claimed
US-5068222-A Polypeptides for treatment of cancer IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-11-26 US claimed
EP-0315367-A2 Polypeptides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-10 EP claimed
EP-0132964-A2 2-Azabicyclo[2.2.2]octane derivatives RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1985-02-13 EP claimed
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4138553-A 3-Methylene cephalosporanic acid derivatives and process for preparation thereof TEIJIN LIMITED (JP) 1979-02-06 US disclosed
US-3932392-A DICYCLOHEXYLAMINE, DIISOPROPYLAMINE BRISTOL-MYERS COMPANY (US) 1976-01-13 US disclosed