SCHEMBL2168161

SCHEMBL2168161

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.40
CHRM3 P20309 4/20 0.40
GFER P55789 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2168187 0.91 GFER (0.46) CHRM2CHRM3GFERMEN1KMT2A
SCHEMBL2168317 0.91 GFER (0.39) CHRM2CHRM3GFERMEN1KMT2A
SCHEMBL2183275 0.85 F10 (0.42) CHRM2CHRM3MEN1KMT2ALMNA
SCHEMBL2171166 0.85 MEN1 (0.44) CHRM2CHRM3MEN1KMT2ALMNA
SCHEMBL2167126 0.85 MAPT (0.41) CHRM2CHRM3GFERMEN1KMT2A
SCHEMBL18887266 0.85 LMNA (0.35) MEN1KMT2ALMNATP53MAPT
SCHEMBL2184240 0.82 HRH3 (0.44) CHRM2CHRM3MEN1KMT2ALMNA
SCHEMBL2168717 0.82 SMN1; SMN2 (0.42) CHRM2CHRM3LMNATP53MAPT
SCHEMBL2167385 0.81 CHRM2 (0.38) CHRM2CHRM3GFERMEN1KMT2A
SCHEMBL2180812 0.81 NPC1 (0.43) CHRM2CHRM3MEN1KMT2ATP53

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