SCHEMBL30872159

SCHEMBL30872159

Cc1ccc2c(C(=O)N3C[C@@H]4CN(c5nc(C)cc(C)n5)C[C@@H]4C3)c(-c3ccccn3)nn2c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.63
HCRTR2 O43614 20/20 0.63

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
SCHEMBL30872182 0.91 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL30997287 0.89 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL30872173 0.80 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL31351492 0.78 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL30872157 0.77 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL6925385 0.77 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL30872165 0.76 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL30872153 0.76 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1672007 0.75 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL1672289 0.75 HCRTR1 (0.79) HCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4471034-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLE METHYL KETONE DERIVATIVE AND APPLICATION THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2024-12-04 EP disclosed
WO-2024109672-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLE METHYL KETONE DERIVATIVE AND APPLICATION THEREOF 江苏恩华药业股份有限公司 2024-05-30 WO disclosed