SCHEMBL8564363

SCHEMBL8564363

COc1ccc2c(c1)C(C(=O)Cl)CC2=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP19A1 P11511 10/20 0.44
MAOB P27338 6/20 0.44
CYP3A4 P08684 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
PDE5A O76074 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL5158375 0.87 LMNA (0.55) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL8562175 0.78 CYP19A1 (0.41) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL5266396 0.76 KDM4E (0.56) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL30375827 0.75 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL22319275 0.75 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL22319274 0.75 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL1893563 0.75 GAA (0.52) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL14395399 0.75 ATM (0.47) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL503654 0.74 SIGMAR1 (0.57) LMNAGAAKDM4EALDH1A1CYP19A1
SCHEMBL10163625 0.74 LMNA (0.51) LMNAGAAKDM4EALDH1A1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756730-A Process for preparing analgesic compounds SANKYO COMPANY, LIMITED (JP) 1998-05-26 US disclosed
US-5656758-A AMIDATION OF AN AMINE-CONTAINING THIOMORPHOLINE OR PIPERAZINE COMPOUND SANKYO COMPANY, LIMITED (JP) 1997-08-12 US disclosed
US-5512567-A KAPPA-RECEPTOR AGONISTS SANKYO COMPANY, LIMITED (JP) 1996-04-30 US disclosed
US-5270327-A Piperidine derivatives SANKYO COMPANY, LIMITED (JP) 1993-12-14 US disclosed
EP-0356247-B1 ANALGESIC CARBOXYLIC ACID AMIDE DERIVATIVES Sankyo Company Limited (JP) 1993-03-17 EP disclosed
US-5021413-A Analgesic thiomorpholins their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed