SCHEMBL28836952

SCHEMBL28836952

c1ccc(C(c2ccccc2)(c2ccccc2)c2cc3c(s2)CNCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
ASIC3 Q9UHC3 1/20 0.37
HTR2C P28335 2/20 0.36
PRCP P42785 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
TLR9 Q9NR96 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL19240608 0.76 PNMT (0.43) PNMTCD44MAOBPARP1PARP2
SCHEMBL4709299 0.70 HTR2B (0.44) PNMTCD44MAOBHTR2C
SCHEMBL29927269 0.70
SCHEMBL2994813 0.67 PNMT (0.38) PNMTPARP1PARP2TLR9TLR8
SCHEMBL4709086 0.66 PNMT (0.72) PNMTCD44MAOBASIC3PARP1
SCHEMBL17277717 0.66 PNMT (0.44) PNMTCD44MAOBASIC3PARP1
SCHEMBL29356870 0.66 PNMT (0.47) PNMTCD44MAOBASIC3HTR2C
SCHEMBL1494741 0.66 PNMT (0.43) PNMTCD44MAOBPARP1PARP2
SCHEMBL22766313 0.66 PNMT (0.43) PNMTCD44MAOBASIC3PARP1
SCHEMBL12665934 0.66 PNMT (0.47) PNMTCD44MAOBASIC3PARP1

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-109311907-B Preparation method of high-purity prasugrel 吉瑞工厂 2022-09-13 CN disclosed