SCHEMBL9479142

SCHEMBL9479142

COC(=O)c1ccc(Cn2ncc3ccc(NC(=O)CC4CCCC4)cc32)c(OC)c1

nearest known ligand 0.87

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 9/20 0.57
CYSLTR1 Q9Y271 9/20 0.57
NAMPT P43490 1/20 0.49
AAK1 Q2M2I8 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL9479016 0.93 CYSLTR2 (0.61) CYSLTR2CYSLTR1AAK1
SCHEMBL8998287 0.86 CYSLTR2 (0.74) CYSLTR2CYSLTR1
SCHEMBL9481066 0.86 CYSLTR1 (0.80) CYSLTR2CYSLTR1
SCHEMBL8951173 0.85 CYSLTR2 (0.53) CYSLTR2CYSLTR1NAMPTLMNA
SCHEMBL8998286 0.84 EPHX2 (0.56) CYSLTR2CYSLTR1NAMPTLMNA
SCHEMBL10368295 0.84 CYSLTR2 (0.56) CYSLTR2CYSLTR1LMNA
SCHEMBL8951163 0.84 CYSLTR2 (0.56) CYSLTR2CYSLTR1NAMPTLMNA
SCHEMBL9806837 0.84 CYSLTR1 (0.67) CYSLTR2CYSLTR1
SCHEMBL8951100 0.81 CYSLTR2 (0.53) CYSLTR2CYSLTR1NAMPTLMNA
SCHEMBL8998138 0.80 CYSLTR2 (0.77) 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