SCHEMBL7422874

SCHEMBL7422874

COC(=O)[C@H](CNC(=O)c1cc2n(n1)CCN(CCC1CCN(C(=O)OC(C)(C)C)CC1)C2=O)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.47
ITGA2B P08514 9/20 0.47
YAP1 P46937 3/20 0.47
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
P2RX7 Q99572 1/20 0.40
NTSR1 P30989 1/20 0.40
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7415330 0.88 ITGB3 (0.51) ITGB3ITGA2BYAP1KDM4EPKM
SCHEMBL7422876 0.87 ITGB3 (0.47) ITGB3ITGA2BYAP1MAPTKDM4E
SCHEMBL7425089 0.83 ITGB3 (0.50) ITGB3ITGA2BKDM4EPKMMEN1
SCHEMBL7306244 0.82 ITGB3 (0.42) ITGB3ITGA2BPKMSMN1; SMN2
SCHEMBL7301488 0.81 ITGB3 (0.43) ITGB3ITGA2BPKMSMN1; SMN2
SCHEMBL7301850 0.80 ITGB3 (0.39) ITGB3ITGA2BPKMSMN1; SMN2
SCHEMBL7425099 0.79 ITGB3 (0.53) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL7304338 0.78 ITGB3 (0.40) ITGB3ITGA2BPKMSMN1; SMN2
SCHEMBL8687291 0.77 ALDH1A1 (0.51) ITGB3ITGA2BKDM4EPKMSMN1; SMN2
SCHEMBL8147986 0.77 YAP1 (0.62) YAP1MAPTMAPK1NPSR1P2RX7

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