SCHEMBL24674723

SCHEMBL24674723

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.51
HTR2C P28335 19/20 0.51
HTR2B P41595 18/20 0.51

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 0.81 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL29842014 0.81 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL24675511 0.78 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL24763593 0.78 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL29841889 0.78 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL31245271 0.77 HTR2C (0.40) HTR2AHTR2CHTR2B
SCHEMBL31244630 0.76 HTR2C (0.40) HTR2AHTR2CHTR2B
SCHEMBL24675323 0.75 HTR2C (0.61) HTR2AHTR2CHTR2B
SCHEMBL31244892 0.75 HTR2C (0.61) HTR2AHTR2CHTR2B
SCHEMBL24674715 0.75 HTR2C (0.61) 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-2022223022-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 四川海思科制药有限公司 2022-10-27 WO disclosed