SCHEMBL28612754

SCHEMBL28612754

C=CCOc1c(C(Cl)c2ccccc2C(F)F)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
PTPRC P08575 1/20 0.30

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
SCHEMBL28629203 0.89 HTR2C (0.37) HTR2CHTR2B
SCHEMBL28631801 0.86 HTR2C (0.37) HTR2CHTR2B
SCHEMBL28617668 0.85 HTR2C (0.34) HTR2CHTR2B
SCHEMBL24353419 0.84 HTR2C (0.36) HTR2CHTR2BPTPRC
SCHEMBL28616382 0.82 HTR2C (0.37) HTR2CHTR2B
SCHEMBL23748310 0.80 HTR2C (0.34) HTR2CHTR2B
SCHEMBL23856051 0.78 HTR2C (0.34) HTR2CHTR2B
SCHEMBL23856048 0.78 HTR2C (0.32) HTR2CHTR2B
SCHEMBL23748190 0.76 HTR2C (0.33) HTR2CHTR2B
SCHEMBL23866934 0.76 HTR2C (0.33) HTR2CHTR2B

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
CN-113195502-A Macrocyclic influenza endonuclease inhibitors 詹森生物制药有限公司 2021-07-30 CN disclosed