SCHEMBL30968142

SCHEMBL30968142

Cc1nc(C2CC2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2Cl)c2ccccc2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
GPR119 Q8TDV5 4/20 0.36
CCR5 P51681 5/20 0.33
SUV39H2 Q9H5I1 1/20 0.33
PTAFR P25105 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADAM17 P78536 1/20 0.32
CHRM4 P08173 1/20 0.32
SPR P35270 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL31065803 1.00 USP30 (0.38) USP30GPR119CCR5SUV39H2PTAFR
SCHEMBL31065785 0.90 USP30 (0.39) USP30GPR119CCR5SUV39H2PTAFR
SCHEMBL30968109 0.90 USP30 (0.39) USP30GPR119CCR5SUV39H2PTAFR
SCHEMBL31065774 0.89 GPR119 (0.36) USP30GPR119SUV39H2
SCHEMBL30968006 0.89 GPR119 (0.36) USP30GPR119SUV39H2
SCHEMBL30967959 0.83 CHRM4 (0.36) USP30CCR5PTAFRCHRM4HRH3
SCHEMBL30968010 0.83 CHRM4 (0.36) USP30CCR5PTAFRCHRM4HRH3
SCHEMBL30968035 0.83 CHRM4 (0.36) USP30CCR5PTAFRCHRM4HRH3
SCHEMBL30968100 0.82 PTAFR (0.35) PTAFRMEN1KMT2ACHRM4HRH3
SCHEMBL30968042 0.82 PTAFR (0.35) PTAFRMEN1KMT2ACHRM4HRH3

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