SCHEMBL21915134

SCHEMBL21915134

CC(C)n1nc(-c2ccc(OCc3ccccc3)cc2)nc1C1CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.59
FDFT1 P37268 1/20 0.48
IGF1R P08069 1/20 0.45
PRMT5 O14744 1/20 0.44
SRC P12931 2/20 0.44
MAOB P27338 2/20 0.44
ABL1 P00519 1/20 0.44
MCHR1 Q99705 1/20 0.42
ALOX5 P09917 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40

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
SCHEMBL25835186 0.85 AOC3 (0.57) AOC3FDFT1IGF1RPRMT5MAOB
SCHEMBL21914530 0.83 AOC3 (0.59) AOC3FDFT1IGF1RPRMT5MAOB
SCHEMBL21914555 0.79 AOC3 (0.59) AOC3SRCMAOBABL1ENPP3
SCHEMBL21889267 0.79 AOC3 (0.61) AOC3FDFT1SRCMAOBABL1
SCHEMBL21889546 0.79 AOC3 (0.61) AOC3FDFT1IGF1RPRMT5MAOB
SCHEMBL21889505 0.78 AOC3 (0.62) AOC3FDFT1IGF1RPRMT5MAOB
SCHEMBL21915136 0.78 AOC3 (0.56) AOC3SRCABL1
SCHEMBL21889181 0.75 AOC3 (1.00) AOC3
SCHEMBL400408 0.71 NPC1 (0.70) MAOB
SCHEMBL23343831 0.69 AOC3 (0.57) AOC3MAOBENPP3ENPP1PPARD

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP disclosed