SCHEMBL6830989

SCHEMBL6830989

Cc1ccc(C(=O)NC2=CC=[C]NC2)c(N2CCC(C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.42
KMT2A Q03164 3/20 0.36
KIF18A Q8NI77 3/20 0.35
TRPV1 Q8NER1 2/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
GAA P10253 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL6825969 0.77 SCN10A (0.52) SCN10AKMT2AKIF18ATRPV1ALDH1A1
SCHEMBL6830991 0.74 SCN10A (0.48) SCN10AKMT2AKIF18ATRPV1ALDH1A1
SCHEMBL6643128 0.72 ALDH1A1 (0.53) SCN10AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6646172 0.72 KMT2A (0.63) KMT2ATRPV1ALDH1A1TSHRMAPT
SCHEMBL6825968 0.71 SCN10A (0.41) SCN10AKMT2AKIF18ATRPV1ALDH1A1
SCHEMBL6646082 0.71 SCN10A (0.46) SCN10ATRPV1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6826031 0.70 SCN10A (0.47) SCN10AKMT2ATRPV1ALDH1A1MAPT
SCHEMBL6645120 0.69 ALDH1A1 (0.53) SCN10AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6647449 0.69 PDE7A (0.47) SCN10ATRPV1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6829355 0.68 SCN10A (0.39) SCN10AKMT2AKIF18ATRPV1ALDH1A1

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-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed