SCHEMBL29931111

SCHEMBL29931111

Cc1cc(C(C)(C)O)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4ncccn4)CC3C2)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.83
HCRTR2 O43614 20/20 0.83

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
SCHEMBL27029809 1.00 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL27055221 1.00 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL27029975 0.93 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL27055303 0.93 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL29931151 0.93 HCRTR1 (0.83) HCRTR1HCRTR2
SCHEMBL1671000 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL27029849 0.86 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL27030028 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL27055373 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL30670434 0.86 HCRTR1 (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022194122-A1 NITROGEN-CONTAINING HETEROCYCLIC POLYCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2022-09-22 WO disclosed