SCHEMBL7658501

SCHEMBL7658501

O=C(NCC(NCCCCCCS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.57
ITGAV P06756 17/20 0.57
ITGA2B P08514 14/20 0.57
NAMPT P43490 1/20 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
SCHEMBL7655259 0.89 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL7652521 0.85 ITGB3 (0.51) ITGB3ITGAVITGA2BNAMPT
SCHEMBL7651194 0.84 ITGB3 (0.74) ITGB3ITGAVITGA2B
SCHEMBL7658132 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2B
SCHEMBL7655271 0.78 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7658496 0.78 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7651421 0.76 ITGB3 (0.42) ITGB3ITGAVITGA2BNAMPT
SCHEMBL6505642 0.76 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL7652719 0.76 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL7658303 0.76 ITGB3 (0.49) 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