SCHEMBL30967987

SCHEMBL30967987

Cc1cc(C2CC2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4)cc2Cl)c2ccccc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
ADRA2A P08913 1/20 0.35
MCHR1 Q99705 1/20 0.35
GPR142 Q7Z601 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
PARP1 P09874 1/20 0.33
CHRM4 P08173 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
SCHEMBL30968132 0.88 PTAFR (0.35) PTAFROPRM1OPRD1HRH3ADRA2A
SCHEMBL30968042 0.88 PTAFR (0.35) PTAFROPRM1OPRD1HRH3ADRA2A
SCHEMBL30968100 0.88 PTAFR (0.35) PTAFROPRM1OPRD1HRH3ADRA2A
SCHEMBL31065785 0.81 USP30 (0.39) PTAFRMEN1KMT2A
SCHEMBL30968109 0.81 USP30 (0.39) PTAFRMEN1KMT2A
SCHEMBL30968016 0.81 NPC1 (0.40) MEN1KMT2ARAB9A
SCHEMBL30968105 0.79 POLB (0.32) OPRM1OPRD1TLR9TLR8TLR7
SCHEMBL30968093 0.77 HCRTR1 (0.34) PTAFRTLR9TLR8TLR7GPR142
SCHEMBL31065780 0.76 PLD3 (0.32) GPR142
SCHEMBL31065783 0.76 PLD3 (0.32) GPR142

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