SCHEMBL7983901

SCHEMBL7983901

COC(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.55
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
BACE1 P56817 1/20 0.48
KAT6A Q92794 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL29682464 0.90 CNR1 (0.53) F2CNR1CNR2MMP2MMP9
SCHEMBL7021957 0.89 F2 (0.65) F2CNR1CNR2
SCHEMBL7024797 0.89 F2 (0.65) F2CNR1CNR2
SCHEMBL8485897 0.89 F2 (0.65) F2CNR1CNR2
SCHEMBL7300647 0.88 MMP2 (0.61) F2CNR1CNR2MMP2MMP9
SCHEMBL9710605 0.88 MMP2 (0.61) F2CNR1CNR2MMP2MMP9
SCHEMBL7984105 0.87 BACE1 (0.62) F2BACE1POLB
SCHEMBL7981740 0.87 MMP2 (0.56) MMP2MMP9POLB
SCHEMBL7021869 0.87 F2 (0.64) F2CNR1CNR2
SCHEMBL8489662 0.87 F2 (0.64) F2CNR1CNR2

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
US-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 EP disclosed