SCHEMBL2183275

SCHEMBL2183275

CC(C)(C)c1ccc(CN2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCCC3=O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.42
HPGD P15428 1/20 0.40
CHRM2 P08172 4/20 0.37
CHRM3 P20309 4/20 0.37
GALR3 O60755 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL2168038 0.88 HPGD (0.43) F10HPGDLMNATSHRHTT
SCHEMBL18887194 0.87 HPGD (0.39) F10HPGDGALR3LMNATSHR
SCHEMBL2167658 0.86 AKR1C3 (0.43) F10HPGDLMNATSHRKMT2A
SCHEMBL2168161 0.85 CHRM2 (0.40) CHRM2CHRM3LMNAHTTKMT2A
SCHEMBL2168317 0.82 GFER (0.39) CHRM2CHRM3LMNAKMT2AMEN1
SCHEMBL2171166 0.80 MEN1 (0.44) HPGDCHRM2CHRM3LMNAHTT
SCHEMBL2167126 0.78 MAPT (0.41) HPGDCHRM2CHRM3LMNAHTT
SCHEMBL2184240 0.77 HRH3 (0.44) HPGDCHRM2CHRM3LMNAHTT
SCHEMBL2168717 0.77 SMN1; SMN2 (0.42) HPGDCHRM2CHRM3LMNATSHR
SCHEMBL2168187 0.76 GFER (0.46) CHRM2CHRM3LMNAHTTKMT2A

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