SCHEMBL28000085

SCHEMBL28000085

CCSc1ccc(CN)cc1NC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.36
SLC6A4 P31645 4/20 0.33
PNMT P11086 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CSNK2A1 P68400 3/20 0.32
AOC1 P19801 3/20 0.32
MAOA P21397 1/20 0.32
CCR2 P41597 1/20 0.31
PSIP1 O75475 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL28073007 0.86 AOC3 (0.36) AOC3SLC6A4PNMTCSNK2A1AOC1
SCHEMBL27999924 0.77 CCR2 (0.47) CCR2
SCHEMBL27993131 0.77 AOC3 (0.39) AOC3SLC6A4PNMTCSNK2A1MAOA
SCHEMBL14043172 0.75 HRH3 (0.39) AOC3PNMTCSNK2A1AOC1HRH3
Hydrochloric Acid SCHEMBL27828043 0.75 AOC3 (0.42) AOC3SLC6A4PNMTCSNK2A1MAOA
SCHEMBL28073015 0.75 HDAC6 (0.36) HDAC6CCR2
Hydrochloric Acid SCHEMBL28000103 0.75 CCR2 (0.46) CCR2
SCHEMBL25872926 0.75 DDR1 (0.46) HDAC6CCR2
SCHEMBL28072988 0.72 CYP1A2 (0.41)
SCHEMBL14043275 0.72 LOXL2 (0.39) AOC3AOC1HRH3

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-104379560-A Benzamide derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed