SCHEMBL7651229

SCHEMBL7651229

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
HTR2B P41595 1/20 0.46
ITGB3 P05106 2/20 0.46
ITGA2B P08514 1/20 0.46
HDAC6 Q9UBN7 4/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MGLL Q99685 4/20 0.41
SORD Q00796 1/20 0.41
ACHE P22303 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ITGAV P06756 1/20 0.40
BCHE P06276 1/20 0.39

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
SCHEMBL415668 0.89 DRD4 (0.54) ITGB3ITGA2BGAAKDM4ETSHR
SCHEMBL382991 0.86 ITGB3 (0.47) TP53MAPTHTR2BITGB3ITGA2B
SCHEMBL7651216 0.83 ITGB3 (0.68) TP53MAPTHTR2BITGB3ITGA2B
SCHEMBL383120 0.82 ITGB3 (0.43) TP53MAPTHTR2BITGB3ITGA2B
SCHEMBL7654428 0.82 ITGB3 (0.48) MAPTITGB3ITGA2BGAAKDM4E
SCHEMBL382427 0.81 ITGB3 (0.43) TP53MAPTITGB3ITGA2BHDAC6
SCHEMBL7656748 0.81 TP53 (0.45) TP53MAPTHTR2BITGB3ITGA2B
SCHEMBL382319 0.80 MAPT (0.47) TP53MAPTITGB3ITGA2BMEN1
SCHEMBL7651979 0.79 ITGB3 (0.47) MAPTITGB3ITGA2BITGAV
SCHEMBL7651202 0.78 ITGB3 (0.53) ITGB3ITGA2BITGAV

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