SCHEMBL30968013

SCHEMBL30968013

CN(C(=O)c1ccc(C2CC2c2nc(C#N)nc3sccc23)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.34
GPR119 Q8TDV5 17/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
USP7 Q93009 1/20 0.31

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
SCHEMBL30968050 0.89 USP30 (0.38) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL30968034 0.82 OPRM1 (0.32)
SCHEMBL31065776 0.78 GPR119 (0.32) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL31065748 0.77 USP30 (0.32) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL31065750 0.77 GPR119 (0.32) USP30GPR119
SCHEMBL31065751 0.75 USP30 (0.34) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL30968165 0.74 USP30 (0.37) USP30GPR119CHRM2CHRM1CHRM3
SCHEMBL31065767 0.72 FASN (0.35)
SCHEMBL31065761 0.70 PLD3 (0.35)
SCHEMBL31065759 0.68 KAT2B (0.33) GPR119CHRM2CHRM1CHRM3USP7

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 2 patents. 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
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