SCHEMBL20158072

SCHEMBL20158072

C[C@H](CC(=O)O)NC(=O)N1CC(CCc2ccc3c(n2)NCCC3)C1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGB5 P18084 20/20 0.69
ITGB1 P05556 1/20 0.62

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
SCHEMBL20158271 0.86 ITGAV (0.57) ITGB3ITGAVITGB5ITGB1
SCHEMBL20142183 0.86 ITGB3 (0.62) ITGB3ITGAVITGB5ITGB1
SCHEMBL20142177 0.86 ITGB3 (0.62) ITGB3ITGAVITGB5ITGB1
SCHEMBL20142503 0.85 ITGB3 (0.62) ITGB3ITGAVITGB5ITGB1
SCHEMBL20142506 0.85 ITGB3 (0.62) ITGB3ITGAVITGB5ITGB1
SCHEMBL20158092 0.85 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB1
SCHEMBL21314582 0.85 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB1
SCHEMBL29701355 0.85 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB1
SCHEMBL20158340 0.83 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB1
SCHEMBL20141606 0.82 ITGB3 (0.63) ITGB3ITGAVITGB5ITGB1

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
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed