SCHEMBL2729946

SCHEMBL2729946

CC1(C)CC(c2cccc(C(N)=O)c2)Nc2ccc(C#N)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 13/20 0.50
F11 P03951 13/20 0.50
F10 P00742 12/20 0.50
PARP1 P09874 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ATIC P31939 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PGR P06401 1/20 0.35
VNN1 O95497 1/20 0.35

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
SCHEMBL11024205 0.92 F11 (0.52) F7F11F10PGR
SCHEMBL2729854 0.85 F7 (0.46) F7F11F10PARP1OPRM1
SCHEMBL11025007 0.84 F11 (0.54) F7F11F10
SCHEMBL2729952 0.84 F7 (0.45) F7F11F10PARP1OPRM1
SCHEMBL2134549 0.84 F7 (0.43) F7F11F10PGR
SCHEMBL11028722 0.82 F11 (0.53) F7F11F10RARARARB
SCHEMBL2141149 0.81 F10 (0.42) F7F11F10PGR
SCHEMBL2729727 0.81 F7 (0.43) F7F11F10PARP1OPRM1
SCHEMBL2730591 0.80 F7 (0.43) F7F11F10PARP1RARA
SCHEMBL2135732 0.80 ALDH1A1 (0.41) F7F11F10OPRK1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US claimed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP claimed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 EP disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 WO disclosed