SCHEMBL7345324

SCHEMBL7345324

CN(C(=O)CCC(c1ccccc1)c1ccccc1)[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)NC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.44
ITGA2B P08514 6/20 0.44
ITGB1 P05556 7/20 0.41
ITGAV P06756 7/20 0.41
ITGA5 P08648 7/20 0.41
MDM4 O15151 4/20 0.41
MDM2 Q00987 6/20 0.41
TACR3 P29371 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
TFPI P10646 1/20 0.34
KEAP1 Q14145 1/20 0.34
C3AR1 Q16581 1/20 0.34

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
SCHEMBL7353534 0.83 ITGB3 (0.45) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345936 0.82 ITGB3 (0.46) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345450 0.81 ITGB3 (0.48) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL8942142 0.80 ITGB3 (0.64) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7352151 0.79 ITGB3 (0.44) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7345928 0.75 PTGER4 (0.51) F10
SCHEMBL7344786 0.72 ITGB3 (0.37) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7346263 0.71 ITGB3 (0.46) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL9295158 0.71 ITGB3 (0.43) ITGB3ITGA2BITGB1ITGAVITGA5
SCHEMBL7349358 0.70 ITGB3 (0.41) ITGB3ITGB1ITGAVITGA5MDM4

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-1992013552-A1 ANTI-AGGREGATORY PEPTIDES CONTAINING AN AROMATIC ESTER OR AMIDE SMITHKLINE BEECHAM CORPORATION (US) 1992-08-20 WO disclosed