SCHEMBL29842014

SCHEMBL29842014

FC(F)(F)c1cnc2c(n1)OCC[C@H]1CNCCN21

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.44
HTR2C P28335 19/20 0.44
HTR2B P41595 18/20 0.44

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
SCHEMBL31245317 1.00 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL24763593 0.88 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL29841889 0.88 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL24675511 0.88 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL24674723 0.81 HTR2A (0.51) HTR2AHTR2CHTR2B
SCHEMBL26958161 0.79 HTR2A (0.40) HTR2AHTR2CHTR2B
SCHEMBL24640578 0.78 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL29841719 0.78 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL31244886 0.78 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL26915139 0.78 HTR2A (0.43) HTR2AHTR2CHTR2B

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-2022166749-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海湃隆生物科技有限公司 2022-08-11 WO disclosed