SCHEMBL9757264

SCHEMBL9757264

C=C(c1cccc(OCc2ccc3ccccc3n2)c1)c1ccc2nc(-c3nnn[nH]3)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.49
GPBAR1 Q8TDU6 2/20 0.49
CYSLTR2 Q9NS75 2/20 0.45

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
SCHEMBL9757221 0.93 CYSLTR1 (0.49) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757105 0.93 GPBAR1 (0.45) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757125 0.86 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757283 0.86 CYSLTR1 (0.38) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757016 0.85 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9034209 0.85 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9034068 0.84 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757219 0.84 CYSLTR1 (0.52) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9757276 0.83 CYSLTR2 (0.49) CYSLTR1CYSLTR2
SCHEMBL9756983 0.83 CYSLTR2 (0.49) CYSLTR1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO claimed
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed