SCHEMBL30968122

SCHEMBL30968122

Cc1nc([C@H]2C[C@@H]2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4CC#N)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
CHRM4 P08173 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTR3E A5X5Y0 6/20 0.32
HTR3B O95264 6/20 0.32
HTR3A P46098 6/20 0.32
HTR3D Q70Z44 6/20 0.32
HTR3C Q8WXA8 6/20 0.32
CCR5 P51681 1/20 0.31
KMT2A Q03164 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31
NMT1 P30419 1/20 0.31
PTAFR P25105 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
SCHEMBL30968035 0.85 CHRM4 (0.36) WNK1PTGDR2CHRM4CCR5PTAFR
SCHEMBL30967959 0.85 CHRM4 (0.36) WNK1PTGDR2CHRM4CCR5PTAFR
SCHEMBL30968010 0.85 CHRM4 (0.36) WNK1PTGDR2CHRM4CCR5PTAFR
SCHEMBL30967993 0.78 ALOX15 (0.36) WNK1HPGDTSHR
SCHEMBL30968098 0.78 ALOX15 (0.36) WNK1HPGDTSHR
SCHEMBL31065803 0.68 USP30 (0.38) CHRM4CCR5KMT2APTAFR
SCHEMBL30968142 0.68 USP30 (0.38) CHRM4CCR5KMT2APTAFR
SCHEMBL30968100 0.67 PTAFR (0.35) PTGDR2CHRM4KMT2APTAFR
SCHEMBL30968042 0.67 PTAFR (0.35) PTGDR2CHRM4KMT2APTAFR
SCHEMBL30968132 0.67 PTAFR (0.35) PTGDR2CHRM4KMT2APTAFR

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