SCHEMBL7649780

SCHEMBL7649780

O=C(O)CC(NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1Cl)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.44
ITGA2B P08514 11/20 0.44
ITGAV P06756 11/20 0.44
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGB5 P18084 1/20 0.36
MGLL Q99685 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
CTSA P10619 1/20 0.34
KAT6A Q92794 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7654318 0.91 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651202 0.88 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6505653 0.87 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7657530 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7649764 0.85 ITGB3 (0.59) ITGB3ITGA2BITGAV
SCHEMBL7652539 0.84 ITGB3 (0.43) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7652012 0.84 SMN1; SMN2 (0.41) ITGB3ITGA2BFLT1FLT4KDR
SCHEMBL7649721 0.81 ITGB3 (0.45) ITGB3ITGA2BITGAVRAB9AITGB1
SCHEMBL7649751 0.80 ITGB3 (0.56) ITGB3ITGA2BITGAVMAPTITGB1
SCHEMBL7652576 0.77 ITGB3 (0.45) 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