SCHEMBL9022667

SCHEMBL9022667

O=C(Cc1ccc(Cc2nnn[nH]2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.54
ALOX5 P09917 2/20 0.54
CYSLTR1 Q9Y271 8/20 0.53
CYSLTR2 Q9NS75 5/20 0.53
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51
PDE10A Q9Y233 1/20 0.48

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 0.90 CYSLTR1 (0.58) GPBAR1ALOX5CYSLTR1CYSLTR2
SCHEMBL10543991 0.89 CYSLTR1 (0.65) GPBAR1ALOX5CYSLTR1CYSLTR2FFAR1
SCHEMBL9829080 0.88 CYSLTR1 (0.64) GPBAR1ALOX5CYSLTR1CYSLTR2FFAR1
SCHEMBL6090157 0.87 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7006454 0.87 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7717086 0.87 CYSLTR1 (0.56) GPBAR1ALOX5CYSLTR1CYSLTR2FFAR1
SCHEMBL9057089 0.86 CYSLTR1 (0.53) GPBAR1ALOX5CYSLTR1CYSLTR2FFAR1
SCHEMBL10421994 0.86 CYSLTR1 (0.63) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7451794 0.85 CYSLTR1 (0.45) GPBAR1CYSLTR1CYSLTR2
SCHEMBL10421901 0.84 CYSLTR1 (0.61) CYSLTR1CYSLTR2FFAR1AKR1B1

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 2 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
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