SCHEMBL7415330

SCHEMBL7415330

COC(=O)[C@H](CNC(=O)c1cc2n(n1)CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C2=O)NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.51
ITGA2B P08514 11/20 0.51
YAP1 P46937 1/20 0.39
MYC P01106 2/20 0.37
MAX P61244 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
MCHR1 Q99705 1/20 0.37
FAAH O00519 1/20 0.36
GPR119 Q8TDV5 2/20 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
SCHEMBL7425089 0.89 ITGB3 (0.50) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7422874 0.88 ITGB3 (0.47) ITGB3ITGA2BYAP1KDM4EPKM
SCHEMBL7415332 0.83 ITGB3 (0.47) ITGB3ITGA2BYAP1KDM4EPKM
SCHEMBL8687291 0.82 ALDH1A1 (0.51) ITGB3ITGA2BKDM4EPKMFAAH
SCHEMBL7415336 0.82 ITGB3 (0.53) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7425099 0.81 ITGB3 (0.53) ITGB3ITGA2BKDM4EPKMMCHR1
SCHEMBL7425094 0.79 ITGB3 (0.48) ITGB3ITGA2BYAP1KDM4EPKM
SCHEMBL7422985 0.78 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7422991 0.78 ITGB3 (0.78) ITGB3ITGA2B
SCHEMBL7422876 0.76 ITGB3 (0.47) ITGB3ITGA2BYAP1KDM4EPKM

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