SCHEMBL9756965

SCHEMBL9756965

O=C(O)c1cc2cc(OCc3cccc(OCc4ccc5ccc(Cl)cc5n4)c3)ccc2s1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.49
CYSLTR2 Q9NS75 3/20 0.49
F9 P00740 2/20 0.48
F10 P00742 2/20 0.48
GPBAR1 Q8TDU6 2/20 0.47
NR4A2 P43354 1/20 0.47
ALOX5 P09917 1/20 0.46
MRGPRX4 Q96LA9 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
SCHEMBL9757101 0.92 CYSLTR1 (0.46) CYSLTR1CYSLTR2F9F10GPBAR1
SCHEMBL9757258 0.90 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8801668 0.82 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9756934 0.82 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9757208 0.81 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9757209 0.78 CYSLTR1 (0.43) CYSLTR1CYSLTR2
SCHEMBL27393484 0.77 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9757206 0.76 NR4A2 (0.42) CYSLTR1F9F10NR4A2MRGPRX4
SCHEMBL8325040 0.76 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL8131833 0.75 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1ALOX5

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