SCHEMBL5309644

SCHEMBL5309644

O=C(NCCC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)nc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 13/20 0.63
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DCTPP1 Q9H773 1/20 0.45

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
SCHEMBL5306424 0.95 SCD (0.61) SCDKDM4ENPC1ALDH1A1TP53
SCHEMBL5312244 0.94 SCD (0.61) SCDKDM4ENPC1ALDH1A1TP53
SCHEMBL5312052 0.92 SCD (0.59) SCDKDM4EALDH1A1HPGDRAB9A
SCHEMBL5311994 0.90 SCD (0.66) SCDDCTPP1
SCHEMBL3666246 0.90 SCD (0.77) SCDDCTPP1
SCHEMBL5310959 0.88 SCD (0.64) SCDDCTPP1
SCHEMBL5312488 0.88 SCD (0.47) SCDKDM4ENPC1ALDH1A1TP53
SCHEMBL5307494 0.88 SCD (0.57) SCD
SCHEMBL5308876 0.88 SCD (0.63) SCDDCTPP1
SCHEMBL5310974 0.87 SCD (0.63) SCDDCTPP1

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