SCHEMBL30872173

SCHEMBL30872173

Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(-c5ncccn5)nn5ccccc45)C[C@H]3C2)n1

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
SCHEMBL30997287 0.91 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL30872153 0.88 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL30872175 0.85 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL27108586 0.85 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL30872185 0.84 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL27108712 0.82 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL30872177 0.81 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL31351496 0.80 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL30872159 0.80 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL31351486 0.80 HCRTR1 (0.56) 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 3 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
CN-118556061-A Disubstituted octahydropyrrolo [3,4-c ] pyrrole methyl ketone derivative and application thereof 江苏恩华药业股份有限公司 2024-08-27 CN 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