SCHEMBL7415336

SCHEMBL7415336

CC(=O)N[C@@](C)(CNC(=O)c1cc2n(n1)CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C2=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.53
ITGA2B P08514 11/20 0.53
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
MCHR1 Q99705 1/20 0.38
FAAH O00519 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7422876 0.89 ITGB3 (0.47) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7425099 0.88 ITGB3 (0.53) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7415330 0.82 ITGB3 (0.51) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL8687291 0.82 ALDH1A1 (0.51) ITGB3ITGA2BKDM4EPKMFAAH
SCHEMBL7415332 0.81 ITGB3 (0.47) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7425089 0.81 ITGB3 (0.50) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7425094 0.79 ITGB3 (0.48) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7422874 0.77 ITGB3 (0.47) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL8687096 0.74 GPR119 (0.41) ITGB3ITGA2BKDM4EPKMFAAH
SCHEMBL7422985 0.73 ITGB3 (0.78) ITGB3ITGA2BTP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed