SCHEMBL9022989

SCHEMBL9022989

O=C(Cc1ccc(CCCc2nnn[nH]2)cc1)c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
CYSLTR2 Q9NS75 6/20 0.51
ALOX5 P09917 1/20 0.47

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
SCHEMBL7719042 0.91 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL7451794 0.89 CYSLTR1 (0.45) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7717125 0.85 CYSLTR1 (0.56) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7005052 0.85 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL10547291 0.85 CYSLTR1 (0.66) CYSLTR1GPBAR1CYSLTR2
SCHEMBL7711050 0.84 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421734 0.84 CYSLTR1 (0.65) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10420741 0.83 CYSLTR1 (0.64) CYSLTR1CYSLTR2
SCHEMBL10610841 0.83 CYSLTR1 (0.68) CYSLTR1GPBAR1CYSLTR2
SCHEMBL10421101 0.82 CYSLTR1 (0.66) CYSLTR1CYSLTR2

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
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
EP-0315399-A2 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-05-10 EP disclosed