SCHEMBL7517094

SCHEMBL7517094

NN=CNc1cccc(C(=O)Nc2ccc(C[C@H](NC(=O)N3C=CC=CC3)C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.47
ITGA2B P08514 11/20 0.47
ITGB1 P05556 11/20 0.47
ITGAV P06756 10/20 0.47
ITGB5 P18084 8/20 0.47
NR1H4 Q96RI1 1/20 0.39
MMP9 P14780 1/20 0.38
ITGA4 P13612 4/20 0.38
ALDH1A1 P00352 1/20 0.38
FOLH1 Q04609 1/20 0.38
MEN1 O00255 1/20 0.37
FFAR1 O14842 1/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL7517076 0.88 ITGB1 (0.48) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7517068 0.88 ITGB1 (0.48) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7516132 0.83 ITGB3 (0.49) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7516139 0.83 ITGB3 (0.49) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7378167 0.82 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7378164 0.82 ITGB3 (0.51) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7378198 0.82 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7378200 0.82 ITGB3 (0.56) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7377339 0.81 ITGB1 (0.68) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL7377332 0.81 ITGB1 (0.68) ITGB3ITGA2BITGB1ITGAVITGB5

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-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed