SCHEMBL5312604

SCHEMBL5312604

O=C(NCCCC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3F)C2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.41
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK14 Q16539 3/20 0.39
DDR1 Q08345 2/20 0.39
MAPK11 Q15759 2/20 0.39
DDR2 Q16832 2/20 0.39
MAP3K20 Q9NYL2 2/20 0.39
MAP3K2 Q9Y2U5 2/20 0.39
KIT P10721 2/20 0.39
TNF P01375 1/20 0.39
MYLK4 Q86YV6 1/20 0.39
RPS6KA6 Q9UK32 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 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 0.90 SCD (0.53) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5309728 0.88 ALDH1A1 (0.41) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5307182 0.88 SCD (0.54) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5314459 0.85 EGLN1 (0.45) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5312612 0.85 SCD (0.40) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5309115 0.85 SCD (0.53) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5309578 0.82 SCD (0.48) SCDALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL5311547 0.82 LMNA (0.46) ALDH1A1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5315075 0.81 SCD (0.50) SCDALDH1A1SMN1; SMN2MAPK14HPGD
SCHEMBL5309157 0.80 SCD (0.55) 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