SCHEMBL9757288

SCHEMBL9757288

C(=Cc1ccc2ccccc2n1)c1cccc(OCc2ccc3nc(-c4nnn[nH]4)oc3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.46
CYSLTR1 Q9Y271 9/20 0.46
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39

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
SCHEMBL9757231 0.92 RAB9A (0.40) CYSLTR2CYSLTR1
SCHEMBL9756989 0.91 CYSLTR1 (0.47) CYSLTR2CYSLTR1TLR4TLR2
SCHEMBL9756995 0.91 CYSLTR1 (0.47) CYSLTR2CYSLTR1TLR4TLR2
SCHEMBL9757276 0.86 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9756983 0.86 CYSLTR2 (0.49) CYSLTR2CYSLTR1
SCHEMBL9757092 0.86 CYSLTR2 (0.45) CYSLTR2CYSLTR1
SCHEMBL9757010 0.85 RAB9A (0.40) CYSLTR2CYSLTR1
SCHEMBL9757167 0.85 CYSLTR1 (0.47) CYSLTR2CYSLTR1TLR4TLR2
SCHEMBL9757140 0.85 CYSLTR1 (0.47) CYSLTR2CYSLTR1TLR4TLR2
SCHEMBL9757125 0.84 CYSLTR1 (0.51) CYSLTR2CYSLTR1

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