SCHEMBL13258407

SCHEMBL13258407

N#CN[C@H](C=O)Cc1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TRPA1 O75762 1/20 0.35
CAPN1 P07384 2/20 0.33
DPP4 P27487 2/20 0.33
FAP Q12884 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
ACE P12821 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CPA1 P15085 1/20 0.33
CHRM2 P08172 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL13258391 0.81 CTSS (0.41) CTSSCTSKTRPA1MAOAMAOB
SCHEMBL8347031 0.77 LOXL2 (0.39) TRPA1LMNAACENOS3NOS1
SCHEMBL9852734 0.77 TRPA1 (0.42) TRPA1CAPN1MAOAMAOBLMNA
SCHEMBL25382819 0.73 CAPN1 (0.47) CAPN1ACECPA1
SCHEMBL3989376 0.73 CAPN1 (0.47) CAPN1ACECPA1
SCHEMBL2267800 0.72 TDP1 (0.43) TRPA1CAPN1NOS3NOS1NOS2
SCHEMBL2268714 0.72 TDP1 (0.43) TRPA1CAPN1NOS3NOS1NOS2
SCHEMBL25651870 0.71 EPHX1 (0.41) TRPA1LMNANOS3NOS1NOS2
SCHEMBL8693276 0.70 TRPA1 (0.44) TRPA1MAOAMAOBLMNACPA1
SCHEMBL2269305 0.67 LOXL2 (0.43) TRPA1DPP4DPP7MAOBCPA1

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-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed