SCHEMBL9818484

SCHEMBL9818484

COC(=O)c1cc(-c2nnn[nH]2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 2/20 0.53
ALOX5AP P20292 2/20 0.48
ALOX5 P09917 1/20 0.48
GPBAR1 Q8TDU6 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
SCHEMBL10421095 0.89 CYSLTR1 (0.53) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL9818410 0.88 CYSLTR1 (0.52) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL10532695 0.87 CYSLTR1 (0.41) CYSLTR1ALOX5APALOX5
SCHEMBL6088675 0.87 CYSLTR1 (0.50) CYSLTR1GPBAR1
SCHEMBL6090364 0.87 CYSLTR1 (0.50) CYSLTR1GPBAR1
SCHEMBL7010321 0.84 CYSLTR1 (0.60) CYSLTR1GPBAR1
SCHEMBL6089267 0.83 CYSLTR1 (0.62) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL6089355 0.83 CYSLTR1 (0.57) CYSLTR1GPBAR1
SCHEMBL6088531 0.83 CYSLTR1 (0.67) CYSLTR1ALOX5APALOX5GPBAR1
SCHEMBL7008709 0.82 CYSLTR1 (0.57) CYSLTR1GPBAR1

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
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