SCHEMBL6983572

SCHEMBL6983572

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(Oc3cccc(C#N)c3)C2=O)c1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.48
FPR2 P25090 1/20 0.39
SLC6A9 P48067 1/20 0.38
MCHR1 Q99705 6/20 0.36
CHRM3 P20309 1/20 0.36
PAX8 Q06710 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL4683261 0.85 F10 (0.42) F10FPR2SLC6A9MCHR1CHRM3
SCHEMBL6988835 0.85 F10 (0.47) F10FPR2MCHR1
SCHEMBL7091175 0.83 F10 (0.46) F10FPR2MCHR1
SCHEMBL6984323 0.82 F10 (0.48) F10FPR2SLC6A9
SCHEMBL4679663 0.81 F10 (0.73) F10FPR2
SCHEMBL6984298 0.79 F10 (0.51) F10FPR2MCHR1
SCHEMBL28704466 0.77 F10 (0.43) F10FPR2SLC6A9
SCHEMBL6981553 0.77 F10 (0.52) F10FPR2MCHR1
SCHEMBL6985639 0.77 F10 (0.52) F10FPR2MCHR1
SCHEMBL6984447 0.76 F10 (0.43) F10FPR2MCHR1

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-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