SCHEMBL30968017

SCHEMBL30968017

COC(OC)C12CCC(CC(N)C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KDM1A O60341 2/20 0.32
CCR2 P41597 2/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
PREP P48147 1/20 0.30

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
SCHEMBL31065791 0.83
SCHEMBL30968061 0.81 CHRM2 (0.37) CHRM2CHRM1CHRM3CCR2KDM4E
SCHEMBL30967997 0.78 CHRM2 (0.40) CHRM2CHRM1CHRM3KDM1ACCR2
SCHEMBL30968060 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3KDM1ACCR2
SCHEMBL30967955 0.77 CHRM2 (0.34) CHRM2CHRM1CHRM3KDM4EMAPT
SCHEMBL30968019 0.74 CHRM2 (0.32) CHRM2CHRM1CHRM3
SCHEMBL30967970 0.74 CHRM2 (0.32) CHRM2CHRM1CHRM3
SCHEMBL2605299 0.73 CHRM2 (0.40) CHRM2CHRM1CHRM3KDM1ACCR2
SCHEMBL2605338 0.73 CHRM2 (0.40) CHRM2CHRM1CHRM3KDM1ACCR2
SCHEMBL23264965 0.72 CHRM2 (0.41) CHRM2CHRM1CHRM3CCR2KDM4E

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