SCHEMBL8563922

SCHEMBL8563922

O=C(C1CCc2ccccc21)N1CCCCC1CN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
KCNH2 Q12809 1/20 0.57
KCNQ2 O43526 1/20 0.46

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 SCHEMBL8561384 0.99 HRH3 (0.56) HRH3KCNH2
SCHEMBL8559673 0.85 HRH3 (0.44) HRH3KCNH2KCNQ2
SCHEMBL8559582 0.85 HRH3 (0.44) HRH3KCNH2KCNQ2
SCHEMBL8562748 0.84 HRH3 (0.49) HRH3KCNH2
SCHEMBL8558600 0.84 HRH3 (0.43) HRH3KCNH2KCNQ2
Hydrochloric Acid SCHEMBL8557566 0.83 HRH3 (0.48) HRH3KCNH2
SCHEMBL8558252 0.81 OPRK1 (0.54) HRH3
SCHEMBL8563796 0.80 OPRK1 (0.55) HRH3
Hydrochloric Acid SCHEMBL8560093 0.80 OPRK1 (0.55) HRH3
SCHEMBL8566978 0.79 UTS2R (0.43) HRH3KCNH2

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
JP-2149560-A None JP disclosed
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
JP-H02149560-A CARBOXAMIDE DERIVATIVE SANKYO CO LTD 1990-06-08 JP disclosed
EP-0356247-A1 Analgesic carboxylic acid amide derivatives Sankyo Company Limited (JP) 1990-02-28 EP disclosed