SCHEMBL2925786

SCHEMBL2925786

O=C(O)CCCC1CCN(C(=O)CCCc2ccc3c(n2)NCCC3)CC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.62
ITGAV P06756 20/20 0.62
ITGA2B P08514 13/20 0.62
ITGB5 P18084 11/20 0.60
ITGB1 P05556 1/20 0.56

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
SCHEMBL8344741 0.95 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL3689188 0.84 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL6262063 0.84 ITGB3 (0.74) ITGB3ITGAVITGA2BITGB5
SCHEMBL3684231 0.83 ITGAV (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL3692823 0.83 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB1
Hydrochloric Acid SCHEMBL29416400 0.82 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5
Hydrochloric Acid SCHEMBL6424214 0.82 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5
SCHEMBL3694317 0.82 ITGB3 (0.58) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL3686967 0.81 ITGAV (0.56) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL3686215 0.81 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB5ITGB1

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
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO disclosed