SCHEMBL9301876

SCHEMBL9301876

N#CCc1ccc(OCc2ccc3ccccc3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 10/20 0.68
CYSLTR2 Q9NS75 7/20 0.66
FFAR1 O14842 1/20 0.60
AKR1B1 P15121 1/20 0.60
GPBAR1 Q8TDU6 4/20 0.58
ALOX5 P09917 2/20 0.57
PDE10A Q9Y233 1/20 0.57

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
SCHEMBL9827475 0.88 CYSLTR1 (0.57) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10607508 0.84 CYSLTR1 (0.71) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL9828564 0.84 CYSLTR1 (0.65) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10607417 0.83 CYSLTR1 (0.66) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10544473 0.82 CYSLTR1 (0.84) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL10549147 0.82 CYSLTR1 (0.64) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL3076102 0.81 CYSLTR1 (1.00) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8317460 0.81 CYSLTR1 (0.74) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL8001866 0.81 CYSLTR1 (0.74) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1
SCHEMBL27814925 0.81 CYSLTR1 (0.74) CYSLTR1CYSLTR2FFAR1AKR1B1GPBAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5246994-A None JP disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-RE40558-E1 Therapeutic uses of di-aryl acid derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-28 US disclosed
US-5310744-A Antiinflammatory BAYER AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
US-5288733-A Quinolylmethoxyphenylacetic acid acylamides and ureas BAYER AKTIENGESELLSCHAFT (DE) 1994-02-22 US disclosed
JP-H05246994-A QUINOLYLMETHOXYPHENYL-ACETAAMIDES BAYER AG 1993-09-24 JP disclosed
EP-0545170-A1 Quinolylmethoxyphenylacetamides BAYER AG (DE) 1993-06-09 EP disclosed
EP-0545171-A1 Quinolylmethoxyphenyl acetic acid acylamides and ureas BAYER AG (DE) 1993-06-09 EP disclosed
US-4839369-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS RORER PHARMACEUTICAL CORPORATION (US) 1989-06-13 US disclosed