SCHEMBL9030848

SCHEMBL9030848

C(=C/c1cccc(OCc2ccc3ccccc3n2)c1)\c1cccc(CCCc2nnn[nH]2)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.56
CYSLTR2 Q9NS75 9/20 0.56
GPBAR1 Q8TDU6 1/20 0.49

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
SCHEMBL9030856 1.00 CYSLTR1 (0.56) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9031918 0.98 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9031912 0.98 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714723 0.94 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9714732 0.94 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9821002 0.94 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9821009 0.94 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9031397 0.92 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9031400 0.92 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1
SCHEMBL9031181 0.92 CYSLTR1 (0.58) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397697-B1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RHONE POULENC RORER INT (US) 1996-08-28 EP claimed
EP-0397697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-07-03 EP claimed
US-5028615-A Treatment of hypersensitivity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-07-02 US claimed
EP-0397697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4?. RORER INT OVERSEAS (US) 1990-11-22 EP claimed
US-4920130-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS RORER PHARAMCEUTICAL CORP. (US) 1990-04-24 US claimed
WO-1989004304-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO claimed