SCHEMBL4639707

SCHEMBL4639707

COc1cccc(C(CN)(c2ccccc2)c2cc(F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ KIF11 P52732 3/20 0.36
▸ SORT1 Q99523 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ CETP P11597 6/20 0.35
▸ LOX P28300 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ EDNRB P24530 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ PHGDH O43175 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ METAP2 P50579 1/20 0.32

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
SCHEMBL1184272 0.79 CETP (0.41) CETP
SCHEMBL4639381 0.79 KIF11 (0.44) KIF11CETP
SCHEMBL12886199 0.77 CETP (0.42) CETP
SCHEMBL4639271 0.76 CETP (0.53) CETP
SCHEMBL10202789 0.75 CETP (0.47) CETP
SCHEMBL4640356 0.75 NOS3 (0.39) KIF11CETPLOXLOXL2
SCHEMBL4639184 0.72 CETP (0.52) CETP
SCHEMBL4191481 0.72 CYP19A1 (0.37) GPBAR1CYP1A2
SCHEMBL4639666 0.69 TACR1 (0.35) KIF11TACR1CETP
SCHEMBL1183111 0.69 CETP (0.65) CETP

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-1951673-A2 HETEROCYCLIC CETP INHIBITORS Bristol-Myers Squibb Company (US) 2008-08-06 — — EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
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