SCHEMBL42389

SCHEMBL42389

CC(C)N1CCN(c2cccc(C3CC(C)(C)c4cc(C(=O)NCCN5CCSCC5(O)O)ccc4N3)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
VCP P55072 4/20 0.35
HSD17B10 Q99714 1/20 0.34
DRD4 P21917 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HTR1A P08908 1/20 0.34
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
DRD3 P35462 3/20 0.33
DRD2 P14416 2/20 0.33
ADRA1A P35348 2/20 0.33
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
SLC5A7 Q9GZV3 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
SCHEMBL41795 0.90 MEN1 (0.35) HSD17B10DRD4MAPTHTR1APARP1
SCHEMBL45171 0.83 HSD17B10 (0.41) VCPHSD17B10DRD4MAPTLMNA
SCHEMBL45170 0.83 HSD17B10 (0.41) VCPHSD17B10DRD4MAPTLMNA
SCHEMBL41668 0.79 HDAC4 (0.46) HDAC4HSD17B10F10F11F7
SCHEMBL45394 0.75 PRKD1 (0.40) HSD17B10MAPTHTR1ADRD3
SCHEMBL45313 0.75 PRKD1 (0.40) HSD17B10MAPTLMNAHTR1ADRD3
SCHEMBL45444 0.73 HSD17B10 (0.42) HSD17B10DRD4MAPTHTR1APOLB
SCHEMBL45445 0.73 HSD17B10 (0.42) HSD17B10DRD4MAPTHTR1APOLB
SCHEMBL15752185 0.72 HDAC4 (0.44) HDAC4LMNA
SCHEMBL45312 0.72 F10 (0.47) MAPTLMNAF10F11F7

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-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP claimed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO claimed
EP-2588458-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-08 EP disclosed
WO-2012001020-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-05 WO disclosed