SCHEMBL30740769

SCHEMBL30740769

COC(=O)c1nc(CBr)co1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.39
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
HTT P42858 1/20 0.32
CES1 P23141 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
PKM P14618 1/20 0.30
MAPT P10636 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
SCHEMBL22118870 0.84 DAGLA (0.40) DAGLANPSR1KDM4EALDH1A1CYP4A11
SCHEMBL9258762 0.83 CYP1A2 (0.41) KDM4EALDH1A1CYP4F2CYP4A11HTT
SCHEMBL31434681 0.83 DAGLA (0.39) DAGLANPSR1KDM4EALDH1A1HTT
SCHEMBL17130045 0.77 ALDH1A1 (0.40) DAGLANPSR1KDM4EALDH1A1KMT2A
SCHEMBL163237 0.74 NPSR1 (0.41) DAGLANPSR1KDM4EALDH1A1CES1
SCHEMBL15540687 0.74 NPSR1 (0.41) DAGLANPSR1KDM4EALDH1A1MEN1
SCHEMBL21639139 0.73 DAGLA (0.55) DAGLANPSR1CES1MAPT
SCHEMBL9980378 0.71 MEN1 (0.33) MEN1KMT2A
SCHEMBL30153789 0.70 NPSR1 (0.38) DAGLANPSR1KDM4EALDH1A1MEN1
SCHEMBL5203591 0.69 KDM4E (0.53) NPSR1KDM4EALDH1A1HTTMEN1

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed