SCHEMBL7649751

SCHEMBL7649751

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.56
ITGAV P06756 13/20 0.56
ITGA2B P08514 13/20 0.56
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGB5 P18084 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.35
MAPT P10636 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
SCHEMBL7657530 0.91 ITGB3 (0.55) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7658791 0.88 ITGB3 (0.44) ITGB3ITGAVITGA2BALDH1A1MAPT
SCHEMBL7651202 0.87 ITGB3 (0.53) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL382754 0.87 ITGB3 (0.75) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL6505653 0.86 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7654318 0.85 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7655207 0.85 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL7655229 0.84 ITGB3 (0.46) ITGB3ITGAVITGA2BPKMALDH1A1
SCHEMBL7649734 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2B
SCHEMBL7655618 0.83 ITGB3 (0.42) ITGB3ITGAVITGA2BALDH1A1LMNA

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