SCHEMBL7469149

SCHEMBL7469149

CC(=O)OCCCS(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCCCC2Nc2ncccn2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.40
ITGAV P06756 12/20 0.40
ITGA2B P08514 12/20 0.40

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
SCHEMBL7472914 0.90 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7463320 0.90 ITGB3 (0.43) ITGB3ITGAVITGA2B
SCHEMBL7465465 0.87 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7470480 0.85 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL7048410 0.82 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7462236 0.82 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL7469165 0.81 NR1H4 (0.34)
SCHEMBL7048337 0.81 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL381774 0.80 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL7464581 0.80 ITGAV (0.44) ITGB3ITGAVITGA2B

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