SCHEMBL9757215

SCHEMBL9757215

COC(c1ccc2nc(-c3nnn[nH]3)oc2c1)c1cc(OCc2ccc3ccccc3n2)ccc1OCCC#N

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.38
CYSLTR1 Q9Y271 6/20 0.38
CYSLTR2 Q9NS75 4/20 0.38
GPBAR1 Q8TDU6 3/20 0.35

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
SCHEMBL9757136 0.86 CYSLTR1 (0.45) ALOX5APCYSLTR1CYSLTR2
SCHEMBL9757216 0.82 CYSLTR1 (0.38) CYSLTR1CYSLTR2
SCHEMBL9760905 0.77 CYSLTR1 (0.44) ALOX5APCYSLTR1CYSLTR2GPBAR1
SCHEMBL9756990 0.75 CYSLTR1 (0.49) CYSLTR1CYSLTR2
SCHEMBL9757016 0.75 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757125 0.74 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757114 0.72 CYSLTR2 (0.46) CYSLTR1CYSLTR2
SCHEMBL9757219 0.72 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757264 0.72 CYSLTR1 (0.49) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9757105 0.71 GPBAR1 (0.45) CYSLTR1CYSLTR2GPBAR1

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 1 patent. 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 disclosed