SCHEMBL5309115

SCHEMBL5309115

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.53
EGLN1 Q9GZT9 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DCTPP1 Q9H773 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
SCHEMBL5309059 0.95 SCD (0.53) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5307182 0.94 SCD (0.54) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5315075 0.92 SCD (0.50) SCDEGLN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL5309660 0.90 SCD (0.56) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5314459 0.89 EGLN1 (0.45) SCDEGLN1NPC1ALDH1A1MAPT
SCHEMBL5309157 0.88 SCD (0.55) SCDDCTPP1
SCHEMBL5309833 0.88 SCD (0.53) SCDDCTPP1
SCHEMBL5314446 0.88 SCD (0.48) SCD
SCHEMBL5315083 0.88 SCD (0.54) SCDDCTPP1
SCHEMBL5315101 0.87 SCD (0.54) 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