SCHEMBL29949259

SCHEMBL29949259

CC(CO)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.56
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 1/20 0.48
ACP3 P15309 2/20 0.47
CES2 O00748 1/20 0.47
DAO P14920 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM3 P20309 1/20 0.45
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
EPHX1 P07099 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 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
SCHEMBL18211318 1.00 PNMT (0.56) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL25853626 1.00 PNMT (0.56) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL16421362 1.00 PNMT (0.56) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL20812100 0.88 PNMT (0.42) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL20738451 0.88 PNMT (0.42) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL6700680 0.86 PNMT (0.53) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL25094181 0.84 HDAC4 (0.42) PNMTL3MBTL1
SCHEMBL10274869 0.84 PNMT (0.53) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL24779791 0.84 PNMT (0.53) PNMTHTR2AHTR2CHTR2BSLC6A2
SCHEMBL25894263 0.84 PNMT (0.53) PNMTHTR2AHTR2CHTR2BSLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117561247-A Novel potassium channel inhibitors 阿塞西翁制药公司 2024-02-13 CN disclosed
EP-4313973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2024-02-07 EP disclosed
WO-2022200162-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACECION PHARMA APS (DK) 2022-09-29 WO disclosed