SCHEMBL8559765

SCHEMBL8559765

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
HTT P42858 2/20 0.32
OPRK1 P41145 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8558653 0.92 OPRK1 (0.39) THRBMEN1POLBKMT2AUTS2R
SCHEMBL8564526 0.89 OPRK1 (0.43) MEN1KMT2AHKDC1ALDH1A1UTS2R
SCHEMBL8562947 0.87 MAPK1 (0.39) POLBLMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL8558564 0.85 UTS2R (0.35) UTS2ROPRK1
SCHEMBL8561099 0.84 THRB (0.38) THRBMEN1POLBKMT2AHKDC1
SCHEMBL8562827 0.84 MAPT (0.35) THRBUTS2ROPRK1MAPT
SCHEMBL8560733 0.84 MAPT (0.35) THRBUTS2ROPRK1MAPT
SCHEMBL8563053 0.83 OPRK1 (0.45) THRBMEN1POLBKMT2AUTS2R
SCHEMBL8560273 0.82 OPRK1 (0.46) THRBUTS2ROPRK1MAPT
SCHEMBL8557551 0.80 OPRK1 (0.51) UTS2ROPRK1

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