SCHEMBL9834295

SCHEMBL9834295

Nc1n[nH]cc1CC(=O)CCCCCCCCCCCCCCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
GLS O94925 1/20 0.39
FAAH O00519 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
DAO P14920 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR3C2 P08235 1/20 0.37
POLB P06746 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35

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
SCHEMBL9833469 0.87 HDAC1 (0.46) NAAAGLSDAOTAAR1NR3C2
SCHEMBL9832892 0.86 NAAA (0.37) NAAAGLSFAAH
SCHEMBL9833331 0.86 HDAC1 (0.47) TAAR1NR3C2
SCHEMBL9832722 0.81 MPO (0.39) GLSDAOTAAR1NR3C2
SCHEMBL9834514 0.80 HRH1 (0.41) NAAAFAAHDAGLA
SCHEMBL9832110 0.79 TDP1 (0.41) NAAAGLSFAAH
SCHEMBL9833135 0.77 CNR1 (0.40) GLS
SCHEMBL9833192 0.75 ALDH1A1 (0.37) GLSPOLB
SCHEMBL9832047 0.75 HRH1 (0.45) NAAAGLS
SCHEMBL1206928 0.71 MAPT (0.66) NAAAFAAH

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
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed