SCHEMBL7653737

SCHEMBL7653737

CCCN(C[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)C(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.52
ITGA2B P08514 16/20 0.52
ITGAV P06756 15/20 0.52
ITGB1 P05556 1/20 0.40
ITGB5 P18084 1/20 0.40
LIMK1 P53667 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 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
SCHEMBL7650144 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7649922 0.85 ITGB3 (0.47) ITGB3ITGA2BITGAVLIMK1MMP2
SCHEMBL7653746 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7654994 0.82 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651194 0.82 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7652565 0.81 ITGB3 (0.52) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7658132 0.81 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL7649709 0.79 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL383368 0.77 ITGB3 (0.73) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651202 0.76 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5

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