SCHEMBL7656743

SCHEMBL7656743

C[C@H](NC(=O)OCc1cccc(NC(=O)c2ccc(N3CCN(c4nc5ccccc5[nH]4)CC3)cc2)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
MAPT P10636 4/20 0.43
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
ACHE P22303 1/20 0.42
SIRT2 Q8IXJ6 4/20 0.42
SIRT1 Q96EB6 4/20 0.42
SIRT3 Q9NTG7 4/20 0.42
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7655115 0.82 SIRT2 (0.41) FLT1KDRFLT3MAPTITGB3
SCHEMBL7656759 0.80 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7656748 0.80 TP53 (0.45) FLT1KDRFLT3MAPTITGB3
SCHEMBL7655119 0.77 TP53 (0.41) FLT1KDRFLT3MAPTITGB3
SCHEMBL7655122 0.76 ITGB3 (0.48) MAPTITGB3ITGA2BTP53CTSL
SCHEMBL7651404 0.69 HTR2B (0.65) MAPTACHEKDM4ETP53KMT2A
SCHEMBL7652040 0.69 MAPT (0.57) MAPTACHESIRT2SIRT1TP53
SCHEMBL7211454 0.69 ITGB3 (0.56) ITGB3ITGA2BNPC1POLBRAB9A
SCHEMBL7394853 0.68 ITGB3 (0.48) ITGB3ITGA2BMEN1KMT2A
SCHEMBL382282 0.68 ITGB3 (0.60) ITGB3ITGA2B

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