SCHEMBL7658101

SCHEMBL7658101

CC1CN(c2ccc(C(=O)NC(CC(=O)O)NS(=O)(=O)c3ccccc3)cc2)CC(C)N1C1=NCCCN1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.48
ITGA2B P08514 18/20 0.48
ITGAV P06756 18/20 0.48
ITGB1 P05556 1/20 0.39
ITGB5 P18084 1/20 0.39
AURKA O14965 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL7651967 0.91 ITGB3 (0.49) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7651202 0.88 ITGB3 (0.53) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7652021 0.84 ITGB3 (0.41) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7658109 0.84 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL7658093 0.84 ITGB3 (0.67) ITGB3ITGA2BITGAV
SCHEMBL383174 0.80 ITGB3 (0.73) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7461042 0.80 ITGB3 (0.74) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL6505653 0.79 ITGB3 (0.48) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL382704 0.78 ITGB3 (0.70) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7653663 0.78 SLC6A7 (0.42) ITGB3ITGA2BITGAV

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