SCHEMBL4049827

SCHEMBL4049827

CNC(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3cc(C=C(C)C(=O)O)nn3C3CCCCC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.39
CMKLR1 Q99788 2/20 0.38
CNR1 P21554 2/20 0.37
FFAR1 O14842 3/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FABP3 P05413 3/20 0.35
FABP4 P15090 3/20 0.35
SCN9A Q15858 2/20 0.35
VCP P55072 2/20 0.35
KCNA3 P22001 1/20 0.34
PIK3CD O00329 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
RET P07949 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL1131767 1.00 GCGR (0.39) GCGRCMKLR1CNR1FFAR1FFAR4
SCHEMBL1132056 0.92 FAAH (0.37) GCGRCMKLR1CNR1FFAR1FFAR4
SCHEMBL1131843 0.89 CMKLR1 (0.40) CMKLR1CNR1FFAR1FFAR4FABP3
SCHEMBL1131841 0.89 CMKLR1 (0.40) CMKLR1CNR1FFAR1FFAR4FABP3
SCHEMBL1131447 0.89 CMKLR1 (0.37) GCGRCMKLR1FFAR1FFAR4FABP3
SCHEMBL1131445 0.89 CMKLR1 (0.37) GCGRCMKLR1FFAR1FFAR4FABP3
SCHEMBL1131581 0.85 CNR1 (0.39) CNR1FFAR1FFAR4SCN9AVCP
SCHEMBL12860235 0.85 CNR1 (0.39) GCGRCNR1FFAR1FFAR4SCN9A
SCHEMBL12860096 0.81 GCGR (0.36) GCGRFFAR4FABP3FABP4VCP
SCHEMBL1131983 0.81 FAAH (0.36) GCGRCMKLR1FFAR1FFAR4FABP3

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-1663105-A4 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2009-04-15 EP disclosed
EP-1663105-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS Bristol-Myers Squibb Company (US) 2006-06-07 EP disclosed
WO-2005034850-A2 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed