SCHEMBL6981553

SCHEMBL6981553

COc1ccc(OC2CCCN(c3ccc(-c4ccccc4)c(S(C)(=O)=O)c3F)C2=O)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.52
FPR2 P25090 4/20 0.42
FPR1 P21462 3/20 0.42
MCHR1 Q99705 11/20 0.41

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
SCHEMBL6985639 0.88 F10 (0.52) F10FPR2FPR1MCHR1
SCHEMBL4680369 0.83 F10 (0.77) F10FPR2FPR1
SCHEMBL6986574 0.83 F10 (0.51) F10FPR2FPR1MCHR1
P-Anisic Acid SCHEMBL6989854 0.83 F10 (0.49) F10FPR2FPR1MCHR1
SCHEMBL6984447 0.82 F10 (0.43) F10FPR2FPR1MCHR1
SCHEMBL6984298 0.79 F10 (0.51) F10FPR2FPR1MCHR1
SCHEMBL6988835 0.77 F10 (0.47) F10FPR2MCHR1
SCHEMBL6983572 0.77 F10 (0.48) F10FPR2MCHR1
SCHEMBL7091175 0.74 F10 (0.46) F10FPR2FPR1MCHR1
SCHEMBL7452492 0.74 F10 (0.42) F10FPR2FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed