SCHEMBL7084907

SCHEMBL7084907

CC(C)(C)OC(=O)NC1CCc2ccccc2N(CC(=O)N2CCCC2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.63
NPY1R P25929 1/20 0.56
ACE P12821 1/20 0.55

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
SCHEMBL11050154 0.87 ACE (0.66) CCKBRNPY1RACE
SCHEMBL7486160 0.87 CCKBR (0.72) CCKBRNPY1R
SCHEMBL8673708 0.87 ACE (0.66) CCKBRNPY1RACE
SCHEMBL7486156 0.87 CCKBR (0.72) CCKBRNPY1R
SCHEMBL7598390 0.83 CCKBR (0.63) CCKBR
SCHEMBL7564700 0.83 CCKBR (0.63) CCKBR
SCHEMBL7419852 0.83 MEN1 (0.46) CCKBRNPY1RACE
SCHEMBL7466267 0.83 CCKBR (0.52) CCKBR
SCHEMBL7960849 0.81 CCKBR (0.47) CCKBRACE
SCHEMBL6179669 0.81 CCKBR (0.43) CCKBRACE

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
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed