SCHEMBL7651260

SCHEMBL7651260

O=C(N[C@@H](CNC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.55
ITGA2B P08514 6/20 0.55
ITGAV P06756 11/20 0.51
SLC6A7 Q99884 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
GFER P55789 1/20 0.46
TGM2 P21980 1/20 0.45
ITGB1 P05556 1/20 0.45
ITGA5 P08648 1/20 0.45
ITGB5 P18084 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7650186 0.87 ITGB3 (0.47) ITGB3ITGA2BITGAVTGM2ITGB1
SCHEMBL7655338 0.87 ITGB3 (0.49) ITGB3ITGA2BITGAVSLC6A7TGM2
SCHEMBL382408 0.86 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7651363 0.86 ITGB3 (0.51) ITGB3ITGA2BITGAVSLC6A7LMNA
SCHEMBL7652719 0.84 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7651277 0.82 SLC6A7 (0.47) ITGB3ITGA2BSLC6A7LMNASMN1; SMN2
SCHEMBL7656759 0.82 ITGB3 (0.56) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL8506333 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL8349376 0.81 ITGB3 (0.51) ITGB3ITGA2BITGAVITGB1ITGA5
SCHEMBL7655291 0.79 KDM4E (0.53) SLC6A7LMNASMN1; SMN2TP53GFER

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