SCHEMBL5309798

SCHEMBL5309798

CCCCCCNC(=O)c1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NAAA Q02083 2/20 0.38
GSK3B P49841 1/20 0.37
SCD O00767 4/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5309214 0.86 SCD (0.49) ALDH1A1LMNAMAPTSMN1; SMN2NAAA
SCHEMBL5309801 0.85 LMNA (0.41) ALDH1A1LMNAMAPTSMN1; SMN2NAAA
SCHEMBL5314476 0.85 EGLN1 (0.39) NAAASCD
SCHEMBL5315101 0.85 SCD (0.54) NAAASCD
SCHEMBL5306119 0.85 EGLN1 (0.42) ALDH1A1SMN1; SMN2HPGDHTTPOLB
SCHEMBL5315083 0.84 SCD (0.54) SCD
SCHEMBL5309739 0.83 ALDH1A1 (0.52) ALDH1A1LMNAMAPTGSK3BGAA
SCHEMBL5306725 0.83 SCD (0.44) ALDH1A1LMNAMAPTSMN1; SMN2SCD
SCHEMBL5309157 0.81 SCD (0.55) SCD
SCHEMBL5307327 0.80 SCD (0.34) ALDH1A1LMNAMAPTSMN1; SMN2SCD

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