SCHEMBL7658148

SCHEMBL7658148

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NC[C@H](NS(=O)(=O)c3ccccc3)C(=O)O)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.68
ITGA2B P08514 12/20 0.68
ITGAV P06756 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL8348648 0.85 ITGB3 (0.52) ITGB3ITGA2BITGAVSMN1; SMN2MEN1
SCHEMBL7664581 0.84 ITGB3 (0.64) ITGB3ITGA2BITGAV
SCHEMBL7651971 0.83 ITGB3 (0.72) ITGB3ITGA2BITGAV
SCHEMBL26683376 0.83 BCL2 (0.60) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL7658155 0.82 MEN1 (0.51) ITGB3ITGA2BSMN1; SMN2MEN1KMT2A
SCHEMBL7402105 0.81 ITGB3 (1.00) ITGB3ITGA2BITGAV
SCHEMBL383058 0.81 ITGB3 (0.58) ITGB3ITGA2BITGAV
SCHEMBL7654405 0.81 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL24620293 0.80 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL8352940 0.79 ITGB3 (0.79) 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 2 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 disclosed
EP-1057818-A1 PHENYLPIPERAZINE DERIVATIVES AS INTEGRIN ALPHAvBETA3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2000-12-06 EP disclosed