SCHEMBL29930992

SCHEMBL29930992

Cc1cc(C(C)(C)F)nc(N2CC3CN(C=O)CC3C2)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.44
HCRTR1 O43613 17/20 0.43
HCRTR2 O43614 17/20 0.43
PPARG P37231 1/20 0.40

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
SCHEMBL30670451 1.00 RBP4 (0.44) RBP4HCRTR1HCRTR2PPARG
SCHEMBL30670462 0.87 HCRTR1 (0.45) RBP4HCRTR1HCRTR2
SCHEMBL30670414 0.87 HCRTR1 (0.43) RBP4HCRTR1HCRTR2
SCHEMBL30670452 0.87 HCRTR1 (0.45) RBP4HCRTR1HCRTR2
SCHEMBL30670461 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL30465895 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL27270002 0.80 HCRTR1 (0.40) RBP4HCRTR1HCRTR2PPARG
SCHEMBL30670447 0.80 HCRTR2 (0.46) RBP4HCRTR1HCRTR2
SCHEMBL30670453 0.80 RBP4 (0.40) RBP4HCRTR1HCRTR2
SCHEMBL30670442 0.80 RBP4 (0.40) RBP4HCRTR1HCRTR2

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
CN-116981670-A Polycyclic compound containing nitrogen heterocycle, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-10-31 CN disclosed
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