SCHEMBL7657530

SCHEMBL7657530

O=C(O)CC(NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)c(Cl)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.55
ITGAV P06756 14/20 0.55
ITGA2B P08514 14/20 0.55
CTSA P10619 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGB5 P18084 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
F10 P00742 1/20 0.35
ITGB6 P18564 1/20 0.34

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
SCHEMBL7649751 0.91 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7651202 0.88 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6505653 0.87 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382329 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2BCTSAITGB1
SCHEMBL7652539 0.86 ITGB3 (0.43) ITGB3ITGAVITGA2BCTSAITGB1
SCHEMBL7649780 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2BCTSAITGB1
SCHEMBL7658571 0.84 ITGB3 (0.45) ITGB3ITGAVITGA2BCTSAKDM4E
SCHEMBL3254423 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7654318 0.81 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL3254430 0.80 ITGB3 (0.49) ITGB3ITGAVITGA2BCTSAKDM4E

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