SCHEMBL7465639

SCHEMBL7465639

N=C(N)N[C@H]1CCCN(c2ccc(C(=O)NC[C@H](NS(=O)(=O)c3ccccc3)C(=O)O)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.67
ITGA2B P08514 19/20 0.67
ITGAV P06756 9/20 0.67

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
SCHEMBL7651521 0.90 ITGB3 (0.68) ITGB3ITGA2BITGAV
SCHEMBL7464434 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7052283 0.84 ITGB3 (0.75) ITGB3ITGA2BITGAV
SCHEMBL7470177 0.84 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7462616 0.83 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7466752 0.82 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7465235 0.82 ITGB3 (0.69) ITGB3ITGA2BITGAV
SCHEMBL7462626 0.81 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7651971 0.81 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7461023 0.80 ITGB3 (1.00) ITGB3ITGA2BITGAV

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-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed