SCHEMBL7651216

SCHEMBL7651216

O=C(NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.68
ITGA2B P08514 16/20 0.68
ITGAV P06756 6/20 0.56
HTR2B P41595 1/20 0.48
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL415667 0.88 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL382483 0.85 ITGB3 (0.66) ITGB3ITGA2BITGAV
SCHEMBL7651229 0.83 TP53 (0.46) ITGB3ITGA2BITGAVHTR2BTP53
SCHEMBL7402105 0.81 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL383121 0.81 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7654405 0.81 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL7656759 0.81 ITGB3 (0.56) ITGB3ITGA2BITGAVHTR2B
SCHEMBL382426 0.81 ITGB3 (0.60) ITGB3ITGA2BITGAVTP53
SCHEMBL7654273 0.80 MAPT (0.44) ITGB3ITGA2BHTR2BTP53MAPT
SCHEMBL382318 0.80 ITGB3 (0.59) ITGB3ITGA2BITGAVMAPT

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