SCHEMBL23518372

SCHEMBL23518372

C[C@H](CNC(=O)CNC(=O)c1cccc(NC2=NCCCN2)c1)NC(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 17/20 0.56
▸ ITGAV P06756 17/20 0.56
▸ ITGB6 P18564 8/20 0.56
▸ ITGB1 P05556 10/20 0.54
▸ ITGA5 P08648 4/20 0.54
▸ ITGB5 P18084 7/20 0.49
▸ ITGB8 P26012 1/20 0.49
▸ ITGA8 P53708 1/20 0.49
▸ ITGA2B P08514 7/20 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
SCHEMBL23489508 0.92 ITGB1 (0.61) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23455311 0.92 ITGB1 (0.61) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23489345 0.91 ITGB1 (0.55) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23455402 0.91 ITGB1 (0.55) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23489611 0.88 ITGB3 (0.57) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23455495 0.85 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23455492 0.85 ITGB3 (0.60) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23455514 0.83 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23455516 0.83 ITGB3 (0.56) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL23489362 0.79 ITGB1 (0.69) ITGB3ITGAVITGB6ITGB1ITGA5

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-2021119199-A1 ALPHA-5 BETA-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-17 — — WO disclosed
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