SCHEMBL7422876

SCHEMBL7422876

CC(C)(C)OC(=O)N1CCC(CCN2CCn3nc(C(=O)NC[C@](C)(NC(=O)OCc4ccccc4)C(=O)O)cc3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
YAP1 P46937 2/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN2B Q13224 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7415336 0.89 ITGB3 (0.53) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7422874 0.87 ITGB3 (0.47) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7425099 0.83 ITGB3 (0.53) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7425089 0.78 ITGB3 (0.50) ITGB3ITGA2BKDM4EPKMMEN1
SCHEMBL8687291 0.77 ALDH1A1 (0.51) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7415330 0.76 ITGB3 (0.51) ITGB3ITGA2BKDM4EPKMYAP1
SCHEMBL7425094 0.75 ITGB3 (0.48) ITGB3ITGA2BKDM4EPKMYAP1
SCHEMBL7415332 0.73 ITGB3 (0.47) ITGB3ITGA2BKDM4EPKMYAP1
SCHEMBL7306244 0.72 ITGB3 (0.42) ITGB3ITGA2BPKMSMN1; SMN2LMNA
SCHEMBL7301488 0.71 ITGB3 (0.43) ITGB3ITGA2BPKMSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684823-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1997-07-09 EP disclosed
EP-0684823-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-12-06 EP disclosed
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed