SCHEMBL28945819

SCHEMBL28945819

NCc1c(CCl)cccc1CCl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.46
LOXL2 Q9Y4K0 1/20 0.38
TAAR1 Q96RJ0 5/20 0.37
DPP4 P27487 3/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.34
HRH3 Q9Y5N1 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL5497771 0.85 PNMT (0.48) PNMTLOXL2TAAR1DPP4ALDH1A1
SCHEMBL234202 0.80 TSHR (0.39) PNMTTAAR1ALDH1A1TSHRIDO1
SCHEMBL5399463 0.80 PNMT (0.52) PNMTLOXL2TAAR1DPP4HTR2A
Iodide SCHEMBL28723808 0.78 PNMT (0.50) PNMTLOXL2TAAR1DPP4HTR2A
SCHEMBL7865281 0.76 PNMT (0.56) PNMTLOXL2TAAR1DPP4ALDH1A1
SCHEMBL2554785 0.74 GABRA1 (0.50) PNMTLOXL2TAAR1
SCHEMBL18550415 0.74 ALDH1A1 (0.35) PNMTALDH1A1TSHR
SCHEMBL6908927 0.74 GABRA1 (0.44) PNMTTAAR1ALDH1A1TSHRHTR2A
SCHEMBL11643538 0.72 PNMT (0.39) PNMTTAAR1ALDH1A1TSHRIDO1
SCHEMBL1539462 0.72 TAAR1 (0.44) PNMTTAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677598-B Preparation method for synthesizing pyrimidinedione compound 南通常佑药业科技有限公司 2024-11-01 CN disclosed
CN-115677598-A Preparation method for synthesizing pyrimidinedione compound 南通常佑药业科技有限公司 2023-02-03 CN disclosed