SCHEMBL8686010

SCHEMBL8686010

CCc1[nH]c2ccc(OC)cc2c1CCNC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.77
MTNR1B P49286 17/20 0.77
NQO2 P16083 3/20 0.73
CYP1A2 P05177 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
TSHR P16473 1/20 0.73
KDM4E B2RXH2 2/20 0.71
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
HSD17B10 Q99714 2/20 0.71
POLB P06746 1/20 0.71
MDM2 Q00987 1/20 0.71

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
SCHEMBL31543684 0.92 MTNR1A (0.75) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31543721 0.90 MTNR1A (0.72) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL3645985 0.89 MTNR1A (0.71) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL29138500 0.87 MTNR1A (0.88) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL30669508 0.87 MTNR1A (0.88) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL15427952 0.87 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL9304037 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL8946916 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31530479 0.85 MTNR1A (0.78) MTNR1AMTNR1BNQO2CYP1A2CYP3A4
SCHEMBL31543713 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2CYP1A2CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1047386-C Novel spiro [indole-pyrrolidine]derivatives as melatoninergic agonists, method for preparing same and use thereof as drug CEMAF (FR) 1999-12-15 CN disclosed
US-5763471-A TREATS PSYCHIATARIC AND BRAIN DISORDERS CEMAF (FR) 1998-06-09 US disclosed
CN-1148855-A Novel spiro [indole-pyrrolidine]derivatives as melatoninergic agonists, method for preparing same and use thereof as drug CEMAF (FR) 1997-04-30 CN disclosed
EP-0754183-A1 NOVEL SPIRO[INDOLE-PYRROLIDINE] DERIVATIVES AS MELATONINERGIC AGONISTS, METHOD FOR PREPARING SAME AND USE THEREOF AS A DRUG CEMAF (FR) 1997-01-22 EP disclosed
WO-1995027712-A1 NOVEL SPIRO[INDOLE-PYRROLIDINE] DERIVATIVES AS MELATONINERGIC AGONISTS, METHOD FOR PREPARING SAME AND USE THEREOF AS A DRUG CEMAF (FR) 1995-10-19 WO disclosed