SCHEMBL8561099

SCHEMBL8561099

Cc1ccc2c(c1)C(C(=O)N1CCSCC1CN1CCOCC1)CCC2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
LMNA P02545 1/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL8560625 0.92 HRH3 (0.35) THRBLMNAMEN1KMT2AUTS2R
SCHEMBL8560662 0.89 UTS2R (0.44) MAPK1MEN1KMT2AHKDC1UTS2R
SCHEMBL8560472 0.88 THRB (0.36) THRBUTS2RMAPT
SCHEMBL8563224 0.87 MAPT (0.36) THRBUTS2RMAPT
SCHEMBL8557546 0.87 CNR1 (0.43) LMNAMAPK1CNR1CNR2ALDH1A1
SCHEMBL8564538 0.85 UTS2R (0.38) UTS2R
SCHEMBL8558697 0.85 HRH3 (0.35) THRBPOLBUTS2RMAPT
SCHEMBL8559765 0.84 THRB (0.37) THRBLMNAMAPK1POLBMEN1
SCHEMBL8556894 0.84 MAPT (0.35) THRBPOLBMEN1KMT2AUTS2R
SCHEMBL8562141 0.81 OPRK1 (0.44) UTS2R

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