SCHEMBL8561999

SCHEMBL8561999

O=C1CC(C(=O)Cl)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRK1 P41145 1/20 0.31
PARP16 Q8N5Y8 2/20 0.30
PARP3 Q9Y6F1 2/20 0.30
TTR P02766 1/20 0.30

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
Hydrochloric Acid SCHEMBL8565575 0.84 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL8564785 0.83 CHRNB2 (0.31) CHRNB2CHRNA4
SCHEMBL8562108 0.79 AR (0.42) CHRNB2CHRNA4KDM4EALDH1A1OPRK1
SCHEMBL8562175 0.76 CYP19A1 (0.41) KDM4EALDH1A1OPRK1TTR
SCHEMBL8561344 0.75 ACHE (0.39) CHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL27881083 0.73 NOTUM (0.36) ALDH1A1
SCHEMBL8562417 0.73 GLS (0.46) KDM4EALDH1A1OPRK1
SCHEMBL8564363 0.71 LMNA (0.54) KDM4EALDH1A1
SCHEMBL11676405 0.69 TP53 (0.36)
SCHEMBL9533477 0.69 KDM4E (0.31) KDM4E

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 9 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-5679674-A ANALGESICS SANKYO COMPANY, LIMITED (JP) 1997-10-21 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
EP-0657443-A1 OPTICALLY ACTIVE CARBOXAMIDE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1995-06-14 EP 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