SCHEMBL30968105

SCHEMBL30968105

Cc1nc(C2CC2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4)cc2Cl)c2cccnc2n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
GPR142 Q7Z601 5/20 0.32
SLC40A1 Q9NP59 1/20 0.32
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL30968042 0.88 PTAFR (0.35) GPR142OPRM1OPRD1
SCHEMBL30968100 0.88 PTAFR (0.35) GPR142OPRM1OPRD1
SCHEMBL30968132 0.88 PTAFR (0.35) GPR142OPRM1OPRD1
SCHEMBL31065775 0.83 PLD3 (0.32) GPR142
SCHEMBL31065783 0.83 PLD3 (0.32) GPR142
SCHEMBL31065780 0.83 PLD3 (0.32) GPR142
SCHEMBL31065774 0.83 GPR119 (0.36)
SCHEMBL30968006 0.83 GPR119 (0.36)
SCHEMBL30967972 0.82 DHODH (0.37)
SCHEMBL30967987 0.79 PTAFR (0.36) GPR142OPRM1OPRD1TLR9TLR8

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