SCHEMBL5312874

SCHEMBL5312874

CC(C)NC(=O)c1ccc(N2C=CCN(C(=O)c3cc(F)ccc3C(F)(F)F)C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.42
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GABRA5 P31644 6/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
GABRA1 P14867 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MGLL Q99685 1/20 0.34
GRM5 P41594 1/20 0.34

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
SCHEMBL5307080 0.91 SCD (0.40) SCDHCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL5309933 0.88 GABRA5 (0.38) SCDGABRA5KDM4EALDH1A1NPC1
SCHEMBL5312273 0.84 KCNQ3 (0.44) SCDKDM4EALDH1A1RAB9A
SCHEMBL5312872 0.83 SCD (0.49) SCDHCRTR1HCRTR2KDM4ERAB9A
SCHEMBL5311282 0.82 SCD (0.38) SCDHCRTR1HCRTR2GABRA5NPC1
SCHEMBL5306881 0.79 SCD (0.51) SCD
SCHEMBL5309408 0.79 SCD (0.47) SCD
SCHEMBL5311277 0.77 SCD (0.41) SCDHCRTR1HCRTR2GABRA5EGLN1
SCHEMBL5307096 0.77 SCD (0.53) SCD
SCHEMBL5308879 0.77 SCD (0.56) SCD

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
WO-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed