SCHEMBL30872157

SCHEMBL30872157

Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4c(-c5ccccn5)cn5cc(F)ccc45)C[C@H]3C2)n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.70
HCRTR1 O43613 19/20 0.70

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
SCHEMBL30872170 0.89 HCRTR1 (0.73) HCRTR2HCRTR1
SCHEMBL31351492 0.88 HCRTR1 (0.68) HCRTR2HCRTR1
SCHEMBL30872182 0.84 HCRTR1 (0.66) HCRTR2HCRTR1
SCHEMBL6925385 0.83 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL6925083 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL6924072 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL30872162 0.81 HCRTR1 (0.59) HCRTR2HCRTR1
SCHEMBL30872177 0.80 HCRTR1 (0.65) HCRTR2HCRTR1
SCHEMBL31351495 0.80 HCRTR1 (0.73) HCRTR2HCRTR1
SCHEMBL1672007 0.79 HCRTR2 (1.00) HCRTR2HCRTR1

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