SCHEMBL7652723

SCHEMBL7652723

O=C(O)CC(NC(=O)OCc1ccccc1)NC(=O)c1ccc(N2CCN(C3=NCCCN3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.46
ITGAV P06756 6/20 0.46
ITGA2B P08514 5/20 0.46
ITGB5 P18084 1/20 0.43
FLT1 P17948 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
CTSL P07711 5/20 0.40
CTSK P43235 5/20 0.40
CTSB P07858 4/20 0.40
AURKA O14965 1/20 0.40
CASP1 P29466 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7655618 0.87 ITGB3 (0.42) ITGB3ITGAVITGA2BITGB5LMNA
SCHEMBL382506 0.86 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5
SCHEMBL7651445 0.85 JAK2 (0.38) ITGB3ITGAVITGA2BAURKALMNA
SCHEMBL7652719 0.84 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5
SCHEMBL7651277 0.83 SLC6A7 (0.47) ITGB3ITGA2BFLT1KDRFLT3
SCHEMBL7658395 0.83 HDAC1 (0.39) ITGB3ITGAVITGA2BITGB5TP53
SCHEMBL7651202 0.81 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB5FLT3
SCHEMBL7658323 0.79 JAK2 (0.41) ITGB3ITGAVITGA2BFLT3CTSK
SCHEMBL7656748 0.79 TP53 (0.45) ITGB3ITGAVITGA2BITGB5FLT1
SCHEMBL382410 0.77 ITGB3 (0.44) ITGB3ITGAVITGA2BITGB5CASP1

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