SCHEMBL30968002

SCHEMBL30968002

CCC12CCCC(CC1)N2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HPGD P15428 1/20 0.35
PREP P48147 2/20 0.35
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
NR1H2 P55055 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
SCHEMBL26759053 0.95 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL29851796 0.88 CHRM2 (0.39) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL30968058 0.87 CHRM2 (0.38) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL2125576 0.83 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL25328629 0.82 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL16391852 0.82 CHRM2 (0.41) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL30977195 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL25257754 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL30977192 0.82 CHRM2 (0.39) CHRM2CHRM1CHRM3HPGDPREP
SCHEMBL30968027 0.81 DDB1 (0.36) CHRM2CHRM1CHRM3DDB1CRBN

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
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed