SCHEMBL8558014

SCHEMBL8558014

O=C(C1CCCc2ccccc21)N1CCSCC1CN1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.42
HRH3 Q9Y5N1 3/20 0.42
DDB1 Q16531 1/20 0.42
KCNH2 Q12809 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
OPRK1 P41145 1/20 0.39
PREP P48147 1/20 0.38
F2 P00734 1/20 0.38
F12 P00748 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
SCHEMBL8559150 0.99 CRBN (0.43) CRBNHRH3DDB1KCNH2PRMT5
SCHEMBL8558600 0.95 HRH3 (0.43) CRBNHRH3DDB1KCNH2OPRK1
SCHEMBL8559582 0.94 HRH3 (0.44) CRBNHRH3DDB1KCNH2OPRK1
SCHEMBL8557546 0.91 CNR1 (0.43) CRBNDDB1PRMT5WDR77
SCHEMBL8556894 0.86 MAPT (0.35) HRH3
SCHEMBL8565280 0.86 UTS2R (0.42) HRH3OPRK1
SCHEMBL8562141 0.85 OPRK1 (0.44) HRH3OPRK1
SCHEMBL8558697 0.85 HRH3 (0.35) CRBNHRH3DDB1KCNH2
SCHEMBL8560625 0.85 HRH3 (0.35) CRBNHRH3DDB1KCNH2OPRK1
SCHEMBL8560299 0.85 UTS2R (0.41) HRH3OPRK1

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