SCHEMBL9827686

SCHEMBL9827686

N#Cc1ccc(C(=O)C=Cc2cccc(OCc3ccc4ccccc4n3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 17/20 0.67
▸ CYSLTR2 Q9NS75 15/20 0.67
▸ GPBAR1 Q8TDU6 2/20 0.58

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
SCHEMBL9827681 1.00 CYSLTR1 (0.67) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6966141 0.92 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6966138 0.92 CYSLTR1 (0.66) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828739 0.89 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9828157 0.89 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1
SCHEMBL30383726 0.89 CYSLTR1 (0.76) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6967961 0.87 CYSLTR2 (0.85) CYSLTR1CYSLTR2
SCHEMBL6967958 0.87 CYSLTR2 (0.85) CYSLTR1CYSLTR2
SCHEMBL6954787 0.84 CYSLTR1 (0.74) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6954791 0.84 CYSLTR1 (0.74) 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 5 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
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 — — US disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 — — WO disclosed
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