SCHEMBL9828161

SCHEMBL9828161

c1cc(CCc2ccc(OCc3ccc4ccccc4n3)cc2)cc(-c2nnn[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.58
CYSLTR2 Q9NS75 6/20 0.58
FFAR1 O14842 1/20 0.51
AKR1B1 P15121 1/20 0.51

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
SCHEMBL10420371 0.96 CYSLTR1 (0.56) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9827514 0.93 CYSLTR1 (0.59) CYSLTR1CYSLTR2
SCHEMBL6088514 0.93 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL9827697 0.92 CYSLTR1 (0.56) CYSLTR1CYSLTR2
SCHEMBL9828138 0.91 CYSLTR1 (0.63) CYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9829921 0.90 CYSLTR1 (0.58) CYSLTR1CYSLTR2
SCHEMBL10420450 0.89 CYSLTR1 (0.62) CYSLTR1CYSLTR2
SCHEMBL7717062 0.89 CYSLTR2 (0.59) CYSLTR1CYSLTR2
SCHEMBL7008709 0.88 CYSLTR1 (0.57) CYSLTR1CYSLTR2
SCHEMBL10421791 0.87 CYSLTR2 (0.56) 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 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