SCHEMBL8557546

SCHEMBL8557546

O=C(C1CCCc2ccccc21)N1CCSCC1CN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
CRBN Q96SW2 7/20 0.41
DDB1 Q16531 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TAOK3 Q9H2K8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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 0.92 CRBN (0.43) CRBNDDB1PRMT5WDR77
SCHEMBL8558014 0.91 CRBN (0.42) CRBNDDB1PRMT5WDR77
SCHEMBL8561099 0.87 THRB (0.38) CNR1CNR2MAPK1LMNAMAPT
SCHEMBL8560662 0.87 UTS2R (0.44) MAPK1
SCHEMBL8559582 0.86 HRH3 (0.44) CRBNDDB1
SCHEMBL8558600 0.85 HRH3 (0.43) CRBNDDB1NPSR1ALDH1A1
SCHEMBL8564538 0.84 UTS2R (0.38)
SCHEMBL8562947 0.83 MAPK1 (0.39) CNR1CNR2MAPK1NPSR1KDM4E
SCHEMBL8566978 0.81 UTS2R (0.43) CNR1CNR2CRBNDDB1PRMT5
SCHEMBL8562141 0.78 OPRK1 (0.44)

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