SCHEMBL9479293

SCHEMBL9479293

CCCC(=O)c1cn(Cc2ccc(C(=O)OC)cc2OC)c2cc(NC(=O)CC3CCCC3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 10/20 0.56
CYSLTR1 Q9Y271 10/20 0.56
NAMPT P43490 1/20 0.46

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
Benzene SCHEMBL9478946 0.88 CYSLTR2 (0.53) CYSLTR2CYSLTR1
SCHEMBL9479233 0.87 CYSLTR2 (0.60) CYSLTR2CYSLTR1NAMPT
SCHEMBL10370463 0.87 CYSLTR1 (0.55) CYSLTR2CYSLTR1
SCHEMBL27673281 0.83 CYSLTR2 (0.54) CYSLTR2CYSLTR1NAMPT
SCHEMBL8998286 0.81 EPHX2 (0.56) CYSLTR2CYSLTR1NAMPT
SCHEMBL10368401 0.81 CYSLTR2 (0.69) CYSLTR2CYSLTR1
SCHEMBL8951192 0.80 CYSLTR2 (0.57) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951100 0.80 CYSLTR2 (0.53) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951163 0.79 CYSLTR2 (0.56) CYSLTR2CYSLTR1NAMPT
SCHEMBL8951488 0.78 CYSLTR2 (0.88) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5234942-A Treating allergic pulmonary disorders, asthma ICI AMERICAS INC. (US) 1993-08-10 US disclosed
US-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed