SCHEMBL7652530

SCHEMBL7652530

C[C@H](NS(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCN(C4=NCCCN4)CC3)c(N)c2Cl)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 7/20 0.42
ITGB3 P05106 6/20 0.39
ITGAV P06756 6/20 0.39
ITGA2B P08514 5/20 0.39
SCN10A Q9Y5Y9 4/20 0.38
ITGB1 P05556 1/20 0.38
ITGB5 P18084 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 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
SCHEMBL7652548 0.79 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7652539 0.79 ITGB3 (0.43) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3254423 0.68 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7657530 0.66 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7649764 0.66 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL3254430 0.65 ITGB3 (0.49) ITGB3ITGAVITGA2BALDH1A1POLB
SCHEMBL7649780 0.65 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7649734 0.64 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL3254442 0.63 ITGB3 (0.50) ITGB3ITGAVITGA2BALDH1A1
SCHEMBL7654306 0.63 ITGB3 (0.71) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US claimed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP claimed
US-6451800-B1 Phenylpiperazine derivatives as integrin αvβ3 antagonists MEIJI SEIKA KAISHA, LTD. (JP) 2002-09-17 US disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed