SCHEMBL18645206

SCHEMBL18645206

CC(C)(C)OC(=O)N1CCCC(Cn2c(=O)[nH]c3c(N)nccc32)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.53
▸ FEN1 P39748 2/20 0.49
▸ BACE1 P56817 2/20 0.47
▸ CTSD P07339 1/20 0.47
▸ CYP2C9 P11712 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ ALOX5AP P20292 1/20 0.42
▸ BCHE P06276 2/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ HPGDS O60760 2/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ HCAR1 Q9BXC0 1/20 0.40
▸ TGFBR1 P36897 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ ACKR3 P25106 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
SCHEMBL18645205 0.84 HTR6 (0.55) HTR6FEN1CYP2C9BCHEFNTA
SCHEMBL30111813 0.83 BTK (0.46) HTR6BACE1CTSDHPGDSHCAR1
SCHEMBL23450731 0.83 BTK (0.46) HTR6BACE1CTSDHPGDSHCAR1
SCHEMBL18289974 0.83 BTK (0.46) HTR6BACE1CTSDHPGDSHCAR1
SCHEMBL18644666 0.79 SRC (0.45) BACE1CTSDHPGDSHCAR1CCNK
SCHEMBL24030203 0.74 FEN1 (0.49) HTR6FEN1BACE1CTSDCYP2C9
SCHEMBL24030205 0.74 FEN1 (0.49) HTR6FEN1BACE1CTSDCYP2C9
SCHEMBL24030429 0.74 FEN1 (0.49) HTR6FEN1BACE1CTSDCYP2C9
SCHEMBL15145746 0.73 TGFBR1 (0.50) BACE1TGFBR1
SCHEMBL24590579 0.72 KDM4E (0.37) SCN9AHCAR1

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
WO-2017041536-A1 OXO-DIHYDROIMIDAZO PYRIDINE COMPOUND AND APPLICATIONS THEREOF 东莞市真兴贝特医药技术有限公司 2017-03-16 — — WO disclosed
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