SCHEMBL31318355

SCHEMBL31318355

Clc1ccc2c(c1)C(Br)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
S100A4 P26447 2/20 0.42
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
CACNA1E Q15878 1/20 0.39
CACNA2D4 Q7Z3S7 1/20 0.39

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
SCHEMBL708297 0.80 GPR3 (0.46) GPR3CHRM2HTR1AADRA2ADRD1
SCHEMBL30230992 0.80 GPR3 (0.46) GPR3CHRM2HTR1AADRA2ADRD1
Bromide SCHEMBL29090090 0.78 GPR3 (0.44) GPR3CHRM2HTR1AADRA2ADRD1
SCHEMBL2672974 0.78 CYP1A2 (0.46) GPR3S100A4CYP2A6PDK2SLC6A2
SCHEMBL8752759 0.76 HTR2B (0.49) GPR3S100A4CACNB4CACNA1ACACNA1G
SCHEMBL27811287 0.76 GPR3 (0.46) GPR3CYP2A6PDK2PPIAHTR1A
Hydrochloric Acid SCHEMBL3196824 0.74 S100A4 (0.41) GPR3S100A4CACNB4CACNA1ACACNA1G
SCHEMBL27810520 0.74 MEN1 (0.44) PDK2ALDH1A1MAPTTHRBHTT
SCHEMBL9765532 0.74 S100A4 (0.50) GPR3S100A4CACNB4CACNA1ACACNA1G
SCHEMBL28540993 0.72 HRH3 (0.46) GPR3S100A4CACNB4CACNA1ACACNA1G

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-119306566-A Synthesis method of bromohydrogenation polycyclic aromatic hydrocarbon 浙江巨化技术中心有限公司 2025-01-14 CN disclosed