SCHEMBL8558600

SCHEMBL8558600

O=C(C1CCc2ccccc21)N1CCSCC1CN1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 1/20 0.43
KCNQ2 O43526 1/20 0.41
OPRK1 P41145 1/20 0.40
CRBN Q96SW2 6/20 0.39
DDB1 Q16531 1/20 0.39
OPRD1 P41143 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL8559582 0.99 HRH3 (0.44) HRH3KCNH2KCNQ2OPRK1CRBN
SCHEMBL8558014 0.95 CRBN (0.42) HRH3KCNH2OPRK1CRBNDDB1
SCHEMBL8559150 0.94 CRBN (0.43) HRH3KCNH2OPRK1CRBNDDB1
SCHEMBL8563303 0.87 OPRK1 (0.41) HRH3KCNH2OPRK1ALDH1A1NPSR1
SCHEMBL8561008 0.87 OPRK1 (0.41) HRH3KCNH2OPRK1ALDH1A1NPSR1
SCHEMBL8557546 0.85 CNR1 (0.43) CRBNDDB1ALDH1A1NPSR1
SCHEMBL8563085 0.85 OPRK1 (0.44) HRH3OPRK1
SCHEMBL8563434 0.85 MAPT (0.36) HRH3KCNH2OPRK1
SCHEMBL8563224 0.85 MAPT (0.36) HRH3KCNH2OPRK1
SCHEMBL8563103 0.85 UTS2R (0.43) HRH3OPRK1OPRD1

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