SCHEMBL31413153

SCHEMBL31413153

Cc1c(O)nc2ccccc2c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
PDE10A Q9Y233 2/20 0.43
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 2/20 0.41
ERN1 O75460 1/20 0.41
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NUDT1 P36639 1/20 0.40
BACE1 P56817 1/20 0.39
NCF1 P14598 1/20 0.39
POLB P06746 2/20 0.38
DHODH Q02127 1/20 0.38
ELANE P08246 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38

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
SCHEMBL31347184 0.85 GPR3 (0.44) GPR3PDE10AMAPK1CYP1A2ERN1
SCHEMBL5049954 0.82 POLB (0.42) GPR3PDE10ACYP1A2ERN1HSD17B10
SCHEMBL13467803 0.82 GPR3 (0.48) GPR3PDE10AMAPK1CYP1A2ERN1
SCHEMBL6215008 0.80 GPR3 (0.57) GPR3PDE10ACYP1A2ERN1HSD17B10
SCHEMBL4278260 0.80 ERN1 (0.47) GPR3PDE10AMAPK1CYP1A2ERN1
SCHEMBL4027568 0.80 TDP1 (0.47) GPR3PDE10ACYP1A2HSD17B10ALDH1A1
SCHEMBL31413138 0.77 MAOA (0.52) GPR3MAPK1CYP1A2HSD17B10ALDH1A1
SCHEMBL3892400 0.77 ERN1 (0.57) GPR3PDE10ACYP1A2ERN1HSD17B10
SCHEMBL23197722 0.74 POLB (0.63) GPR3PDE10AMAPK1CYP1A2ALDH1A1
SCHEMBL13451644 0.74 PDE10A (0.41) GPR3PDE10AMAPK1CYP1A2ERN1

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-119343339-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2025-01-21 CN disclosed