SCHEMBL16457331

SCHEMBL16457331

CC(C)c1cn(CCO)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.44
CNR1 P21554 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 8/20 0.41
HPGDS O60760 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16457520 0.89 TP53 (0.42) TRPV3CNR1MAPTHTTNPC1
SCHEMBL16457214 0.88 TRPV3 (0.44) TRPV3MAPTHTTNPC1ALDH1A1
SCHEMBL16457550 0.88 MAPT (0.43) TRPV3MAPTHTTNPC1ALDH1A1
SCHEMBL16457324 0.87 GPR119 (0.45) TRPV3CNR1MAPTALDH1A1THRB
SCHEMBL16457034 0.86 TRPV3 (0.45) TRPV3CNR1MAPTHTTALDH1A1
SCHEMBL9927822 0.86 KDM4E (0.44) TRPV3CNR1MAPTALDH1A1MAPK1
SCHEMBL2063726 0.86 THRB (0.44) TRPV3CNR1MAPTHTTTHRB
SCHEMBL16457111 0.85 MAPT (0.39) TRPV3CNR1MAPTHTTNPC1
SCHEMBL16457110 0.85 MAPT (0.39) TRPV3CNR1MAPTHTTNPC1
SCHEMBL16457172 0.85 MAPT (0.39) TRPV3CNR1MAPTHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed