SCHEMBL27744161

SCHEMBL27744161

NCCC(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.50
IDO1 P14902 3/20 0.38
PDE2A O00408 1/20 0.38
TDO2 P48775 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNK2 O95069 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
CES2 O00748 1/20 0.36
TACR1 P25103 2/20 0.36
GRIN2B Q13224 1/20 0.35

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
SCHEMBL531699 0.84 PNMT (0.68) PNMTIDO1TDO2CES2TACR1
SCHEMBL15784804 0.83 PNMT (0.43) PNMTIDO1PDE2ATDO2TACR1
SCHEMBL29570765 0.81 SLC6A2 (0.47) PNMTPDE2ASLC6A2SLC6A4SLC6A3
SCHEMBL9903281 0.81 PNMT (0.42) PNMTPDE2ASLC6A4CES2TACR1
SCHEMBL15787179 0.80 PNMT (0.43) PNMTPDE2AKCNH2TACR1GRIN2B
SCHEMBL25920947 0.79 PNMT (0.47) PNMTIDO1PDE2ATDO2CES2
SCHEMBL264592 0.78 PNMT (0.46) PNMTIDO1PDE2ATDO2CES2
SCHEMBL459815 0.78 PNMT (0.46) PNMTIDO1PDE2ATDO2CES2
SCHEMBL6484095 0.78 PNMT (0.46) PNMTIDO1PDE2ATDO2CES2
SCHEMBL2394599 0.76 PDE2A (0.51) PNMTIDO1PDE2ATDO2CES2

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-101412711-A Carbamate derivatives and use thereof in medicine SHANGHAI HENGRUI PHARM CO LTD (CN) 2009-04-22 CN disclosed