SCHEMBL31065772

SCHEMBL31065772

CN(C(=O)c1ccc(I)c(F)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
USP30 Q70CQ3 1/20 0.42
GPR119 Q8TDV5 11/20 0.40
HDAC1 Q13547 1/20 0.37
HSD11B1 P28845 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL30968064 1.00 CHRM1 (0.43) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL30968074 0.79 CHRM2 (0.41) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL3522984 0.79 CHRM2 (0.47) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL30968057 0.78 CHRM2 (0.42) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL31065776 0.75 GPR119 (0.32) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL28554978 0.70 CHRM2 (0.68) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL21739027 0.70 CHRM2 (0.68) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL28554979 0.70 CHRM2 (0.68) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL14882620 0.70 CHRM2 (0.68) CHRM1CHRM2CHRM3USP30GPR119
SCHEMBL12094696 0.69 CHRM2 (0.54) CHRM1CHRM2CHRM3USP30GPR119

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
WO-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed