SCHEMBL28358281

SCHEMBL28358281

COc1ccc(N[C@@H]2C[C@H]3C[C@@H]2N(C=O)C3)nc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 19/20 0.55
HCRTR1 O43613 16/20 0.55
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL28361875 0.82 HCRTR2 (0.53) HCRTR2HCRTR1
SCHEMBL28358266 0.81 HCRTR2 (0.55) HCRTR2HCRTR1
SCHEMBL29912327 0.81 HCRTR2 (0.55) HCRTR2HCRTR1
SCHEMBL28361860 0.79 HCRTR2 (0.50) HCRTR2HCRTR1
SCHEMBL29912155 0.79 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL28883566 0.79 HCRTR1 (0.56) HCRTR2HCRTR1
SCHEMBL17510503 0.77 HCRTR2 (0.60) HCRTR2HCRTR1
SCHEMBL17510504 0.77 HCRTR2 (0.60) HCRTR2HCRTR1
SCHEMBL28361848 0.73 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL16148897 0.71 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed