SCHEMBL30002930

SCHEMBL30002930

COC(CNCc1cc(F)cc(F)c1Br)OC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 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
SCHEMBL31551835 0.79 HTR2A (0.39) HTR2AMEN1KMT2AHTR2C
SCHEMBL21915789 0.79 HTR2A (0.39) HTR2AMEN1KMT2AHTR2C
SCHEMBL22787662 0.78 GAA (0.33) HTR2AHTR2C
SCHEMBL29523009 0.78 GAA (0.33) HTR2AHTR2C
SCHEMBL12801239 0.78 IDO1 (0.42) HTR2AMEN1KMT2AHTR2C
SCHEMBL28892116 0.77 PDCD1LG2 (0.34) HTR2AMEN1KMT2AHTR2C
SCHEMBL31551823 0.77 GAA (0.39) HTR2AMEN1KMT2AHTR2C
SCHEMBL24607728 0.76 P2RX7 (0.38) HTR2AMEN1KMT2AHTR2C
SCHEMBL15779164 0.76 KDM1A (0.40) MEN1KMT2A
SCHEMBL29751546 0.76 P2RX7 (0.38) HTR2AMEN1KMT2AHTR2C

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed