SCHEMBL7656748

SCHEMBL7656748

O=C(O)CC(NC(=O)OCc1ccccc1)NC(=O)c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ITGB3 P05106 13/20 0.45
ITGAV P06756 12/20 0.45
HTR2B P41595 1/20 0.45
ITGA2B P08514 3/20 0.43
ITGB5 P18084 3/20 0.43
HDAC6 Q9UBN7 2/20 0.42
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
MGLL Q99685 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA5 P08648 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL7655119 0.90 TP53 (0.41) TP53MAPTITGB3ITGAVHTR2B
SCHEMBL382282 0.86 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL7656759 0.85 ITGB3 (0.56) ITGB3ITGAVHTR2BITGA2BITGB5
SCHEMBL7651277 0.82 SLC6A7 (0.47) TP53MAPTITGB3ITGA2BFLT1
SCHEMBL7655122 0.81 ITGB3 (0.48) TP53MAPTITGB3ITGAVHTR2B
SCHEMBL7651229 0.81 TP53 (0.46) TP53MAPTITGB3ITGAVHTR2B
SCHEMBL7656743 0.80 FLT1 (0.44) TP53MAPTITGB3ITGA2BFLT1
SCHEMBL7652723 0.79 ITGB3 (0.46) TP53ITGB3ITGAVITGA2BITGB5
SCHEMBL380853 0.78 ITGB3 (0.54) ITGB3ITGAVITGA2BITGB5ITGB1
SCHEMBL382410 0.76 ITGB3 (0.44) MAPTITGB3ITGAVITGA2BITGB5

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