SCHEMBL2167385

SCHEMBL2167385

CCc1ccc(CN2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(C3(CC)CC(=O)NC(=O)C3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.38
CHRM3 P20309 4/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GFER P55789 1/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
ACKR3 P25106 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL18887272 0.87 LMNA (0.31) LMNATDP1S1PR1S1PR5
SCHEMBL2168187 0.85 GFER (0.46) CHRM2CHRM3MEN1KMT2AGFER
SCHEMBL2168161 0.81 CHRM2 (0.40) CHRM2CHRM3MEN1KMT2AGFER
SCHEMBL2167126 0.79 MAPT (0.41) CHRM2CHRM3MEN1KMT2AGFER
SCHEMBL2168317 0.73 GFER (0.39) CHRM2CHRM3MEN1KMT2AGFER
SCHEMBL6508926 0.73 CACNA1H (0.38) MEN1KMT2ALMNAALDH1A1S1PR1
SCHEMBL6508930 0.72 S1PR1 (0.35) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL18887213 0.71 ALDH1A1 (0.37) MEN1KMT2AGFERLMNAALDH1A1
SCHEMBL2183275 0.70 F10 (0.42) CHRM2CHRM3MEN1KMT2ALMNA
SCHEMBL2171166 0.69 MEN1 (0.44) CHRM2CHRM3MEN1KMT2ALMNA

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
JP-4732354-B2 2011-07-27 JP claimed