SCHEMBL30967959

SCHEMBL30967959

Cc1nc([C@H]2C[C@@H]2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4CC#N)cc2Cl)c2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.36
PTAFR P25105 1/20 0.35
HRH3 Q9Y5N1 12/20 0.34
CCR5 P51681 1/20 0.33
GPR142 Q7Z601 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
KCNH2 Q12809 2/20 0.32
WNK1 Q9H4A3 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL30968035 1.00 CHRM4 (0.36) CHRM4PTAFRHRH3CCR5GPR142
SCHEMBL30968010 1.00 CHRM4 (0.36) CHRM4PTAFRHRH3CCR5GPR142
SCHEMBL30968122 0.85 WNK1 (0.33) CHRM4PTAFRCCR5PTGDR2WNK1
SCHEMBL30968142 0.83 USP30 (0.38) CHRM4PTAFRHRH3CCR5USP30
SCHEMBL31065803 0.83 USP30 (0.38) CHRM4PTAFRHRH3CCR5USP30
SCHEMBL30968100 0.83 PTAFR (0.35) CHRM4PTAFRHRH3GPR142PTGDR2
SCHEMBL30968042 0.83 PTAFR (0.35) CHRM4PTAFRHRH3GPR142PTGDR2
SCHEMBL30968132 0.83 PTAFR (0.35) CHRM4PTAFRHRH3GPR142PTGDR2
SCHEMBL30968089 0.78 PARP1 (0.33) PTAFRHRH3GPR142
SCHEMBL30968069 0.77 MAPK1 (0.38)

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