SCHEMBL7714637

SCHEMBL7714637

Oc1cccc(SCc2ccc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
PRNP P04156 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GPBAR1 Q8TDU6 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LTB4R Q15722 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL7457051 0.88 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7456253 0.83 CYSLTR1 (0.49) CYSLTR1CYSLTR2PRNPRXFP1KDM4E
SCHEMBL10546745 0.82 CYSLTR2 (0.50) CYSLTR1CYSLTR2PRNPRXFP1KDM4E
SCHEMBL7460680 0.82 CYP1A2 (0.43) CYSLTR1CYSLTR2PRNPRXFP1KDM4E
Hydrogen Sulfide SCHEMBL9818421 0.82 CYSLTR1 (0.48) CYSLTR1CYSLTR2PRNPRXFP1KDM4E
SCHEMBL9818422 0.79 CYSLTR2 (0.42) CYSLTR1CYSLTR2PRNPRXFP1KDM4E
SCHEMBL5373500 0.74 CYSLTR2 (0.49) CYSLTR1CYSLTR2KDM4ECYP1A2CYP2E1
SCHEMBL7455761 0.74 CYSLTR2 (0.49) CYSLTR1CYSLTR2PRNPRXFP1KDM4E
SCHEMBL15560182 0.73 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9719792 0.72 CYP1A2 (0.44) CYSLTR1CYSLTR2PRNPRXFP1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed