SCHEMBL8562947

SCHEMBL8562947

O=C1CCC(C(=O)N2CCSCC2CN2CCOCC2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.35
CNR1 P21554 2/20 0.35
NPSR1 Q6W5P4 2/20 0.34
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTR2C P28335 2/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
CNR2 P34972 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL8563303 0.91 OPRK1 (0.41) NPSR1OPRK1ALDH1A1HTR2C
SCHEMBL8561008 0.91 OPRK1 (0.41) NPSR1OPRK1ALDH1A1HTR2C
SCHEMBL8559765 0.87 THRB (0.37) MAPK1SMN1; SMN2POLBCNR1OPRK1
SCHEMBL8564526 0.87 OPRK1 (0.43) OPRK1ALDH1A1UTS2R
SCHEMBL8558564 0.85 UTS2R (0.35) OPRK1TP53UTS2R
SCHEMBL8557546 0.83 CNR1 (0.43) MAPK1L3MBTL1SMN1; SMN2CNR1NPSR1
SCHEMBL8559796 0.82 OPRK1 (0.48) L3MBTL1OPRK1HTR2C
SCHEMBL8562238 0.81 UTS2R (0.42) MAPK1L3MBTL1SMN1; SMN2NPSR1OPRK1
SCHEMBL8561468 0.81 OPRK1 (0.48) L3MBTL1OPRK1HTR2C
SCHEMBL8558600 0.79 HRH3 (0.43) NPSR1OPRK1ALDH1A1

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