SCHEMBL9757101

SCHEMBL9757101

O=C(O)c1cc2cc(OCc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc3)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 5/20 0.46
CYSLTR2 Q9NS75 3/20 0.45
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
TBXAS1 P24557 1/20 0.43
ALOX5AP P20292 2/20 0.43
NR4A2 P43354 2/20 0.43
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL9756965 0.92 CYSLTR1 (0.49) CYSLTR1CYSLTR2F9F10GPBAR1
SCHEMBL9756934 0.88 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9757209 0.82 CYSLTR1 (0.43) CYSLTR1CYSLTR2TBXAS1
SCHEMBL8801668 0.82 CYSLTR1 (0.62) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1
SCHEMBL9757716 0.81 ALOX5AP (0.48) CYSLTR1CYSLTR2ALOX5APPDE10A
SCHEMBL9757206 0.81 NR4A2 (0.42) CYSLTR1F9F10TBXAS1NR4A2
SCHEMBL9757258 0.80 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9757134 0.80 CYSLTR1 (0.58) CYSLTR1GPBAR1ALOX5APFFAR1AKR1B1
SCHEMBL9756941 0.79 CYSLTR1 (0.54) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9054127 0.78 FFAR1 (0.55) CYSLTR1CYSLTR2GPBAR1ALOX5APFFAR1

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