SCHEMBL9829080

SCHEMBL9829080

c1ccc2nc(COc3ccc(Cc4ccc(Cc5nnn[nH]5)cc4)cc3)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 8/20 0.64
CYSLTR2 Q9NS75 7/20 0.64
FFAR1 O14842 1/20 0.52
AKR1B1 P15121 1/20 0.52
GPBAR1 Q8TDU6 1/20 0.50
ALOX5 P09917 1/20 0.50

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
SCHEMBL10543991 0.99 CYSLTR1 (0.65) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL6090157 0.97 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL7006454 0.97 CYSLTR1 (0.62) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10421994 0.95 CYSLTR1 (0.63) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10420339 0.95 CYSLTR1 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL9827184 0.95 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1
SCHEMBL10421901 0.93 CYSLTR1 (0.61) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9714549 0.92 CYSLTR1 (0.58) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9714556 0.92 CYSLTR1 (0.58) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL10421835 0.92 CYSLTR1 (0.60) 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 6 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 claimed
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP claimed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP claimed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US claimed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO claimed
US-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed