SCHEMBL5309581

SCHEMBL5309581

O=C(NCCCC1CC1)c1ccc(N2C=CCN(C(=O)c3ccccc3F)C2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.44
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CXCR4 P61073 1/20 0.38
DDR1 Q08345 2/20 0.37
MAPK11 Q15759 2/20 0.37
MAPK14 Q16539 2/20 0.37
DDR2 Q16832 2/20 0.37
MAP3K20 Q9NYL2 2/20 0.37
MAP3K2 Q9Y2U5 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SMYD3 Q9H7B4 2/20 0.37
EGLN1 Q9GZT9 1/20 0.37
TNF P01375 1/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL5306427 0.91 SCD (0.55) SCDDDR1MAPK11MAPK14DDR2
SCHEMBL5312248 0.89 SCD (0.56) SCD
SCHEMBL5309646 0.86 SCD (0.55) SCD
SCHEMBL5312492 0.85 EGLN1 (0.42) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5309578 0.83 SCD (0.48) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5312612 0.82 SCD (0.40) SCDNPC1ALDH1A1MAPTRAB9A
SCHEMBL5314056 0.82 PRKAA2 (0.45) SCDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5312057 0.81 SCD (0.52) SCDMAPK14
SCHEMBL5310962 0.81 SCD (0.57) SCD
SCHEMBL5310977 0.80 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