SCHEMBL25823917

SCHEMBL25823917

CC(C)(C)c1ccc2c(c1)OCC1CNCCN21

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.40
HTR2B P41595 11/20 0.40
HTR6 P50406 2/20 0.39
HTR2A P28223 4/20 0.39

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
SCHEMBL25823970 1.00 HTR2C (0.40) HTR2CHTR2BHTR6HTR2A
SCHEMBL24584801 0.83 HTR2C (0.49) HTR2CHTR2BHTR6HTR2A
SCHEMBL25814384 0.83 HTR2C (0.49) HTR2CHTR2BHTR6HTR2A
SCHEMBL22652086 0.80 HTR2C (0.42) HTR2CHTR2BHTR6HTR2A
SCHEMBL22459930 0.80 HTR2C (0.42) HTR2CHTR2BHTR6HTR2A
SCHEMBL21469131 0.80 HTR2C (0.42) HTR2CHTR2BHTR6HTR2A
SCHEMBL8857971 0.80 HTR2C (0.57) HTR2CHTR2BHTR2A
SCHEMBL16437282 0.79 AAK1 (0.46)
SCHEMBL22652322 0.78 HTR2C (0.62) HTR2CHTR2BHTR2A
SCHEMBL21455280 0.78 HTR2C (0.39) HTR2CHTR2BHTR6HTR2A

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed