SCHEMBL30997247

SCHEMBL30997247

Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(-c5ccc(C)s5)cn5ccccc45)C[C@H]3C2)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 20/20 0.55

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
SCHEMBL31351491 0.87 HCRTR2 (0.65) HCRTR1HCRTR2
SCHEMBL30872178 0.87 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL30872167 0.86 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL30872177 0.85 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL31351492 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL30872166 0.84 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL30872160 0.84 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL31351504 0.84 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL30872174 0.83 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL30872158 0.82 HCRTR1 (0.68) 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
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