SCHEMBL9828376

SCHEMBL9828376

O=Cc1cccc(Cc2ccc(OCc3ccc4ccccc4n3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.58
CYSLTR2 Q9NS75 5/20 0.56
GPBAR1 Q8TDU6 4/20 0.55
FFAR1 O14842 1/20 0.55
AKR1B1 P15121 1/20 0.55
ALOX5 P09917 2/20 0.53
PDE10A Q9Y233 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL9828682 0.93 CYSLTR1 (0.65) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6177226 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10ARAB9A
SCHEMBL7011355 0.85 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9828370 0.84 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL3271327 0.84 CYSLTR1 (0.69) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9828870 0.83 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9828160 0.83 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9828521 0.81 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9828413 0.81 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL9828937 0.81 CYSLTR1 (0.60) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5051427-A Antiinflammatory agents and antiallergens RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-09-24 US disclosed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed