SCHEMBL10044105

SCHEMBL10044105

Cc1cc(OCCCC2CCNCC2)cc(C)c1C(=O)NCCO

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 14/20 0.42
▸ ITGA2B P08514 14/20 0.42
▸ NAMPT P43490 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ CHRM1 P11229 1/20 0.38

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
SCHEMBL14621360 0.87 ITGB3 (0.42) ITGB3ITGA2BNAMPTCHRM1
SCHEMBL12106843 0.86 ITGB3 (0.44) ITGB3ITGA2BROCK2CHRM1
Hydrochloric Acid SCHEMBL1295876 0.85 ITGB3 (0.43) ITGB3ITGA2BROCK2CHRM1
SCHEMBL12106771 0.85 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL12106778 0.85 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL10044115 0.85 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL12106777 0.83 ITGB3 (0.41) ITGB3ITGA2B
SCHEMBL13534979 0.83 ITGB3 (0.45) ITGB3ITGA2B
SCHEMBL4397975 0.82 ITGB3 (0.50) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL1295959 0.81 ITGB3 (0.49) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318399-B1 PIPERIDINYL GPCR AGONISTS PROSIDION LTD (GB) 2012-05-09 — — EP disclosed
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