SCHEMBL7654318

SCHEMBL7654318

O=C(O)CC(NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1F)NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.53
ITGA2B P08514 13/20 0.53
ITGAV P06756 13/20 0.53
ITGB1 P05556 1/20 0.36
ITGB5 P18084 1/20 0.36
SCN9A Q15858 1/20 0.35
RORC P51449 1/20 0.35
EEF2K O00418 1/20 0.35

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
SCHEMBL7649780 0.91 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651202 0.88 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6505653 0.87 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7654306 0.85 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL7649751 0.85 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651960 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAV
SCHEMBL7652539 0.81 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7649721 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7657530 0.81 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6497483 0.80 ITGB3 (0.60) 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