SCHEMBL6431395

SCHEMBL6431395

CCS(=O)(=O)NC[C@H](C)NCc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
MAOA P21397 1/20 0.61
SCN9A Q15858 1/20 0.61
ADAMTS4 O75173 1/20 0.47
MMP13 P45452 1/20 0.47
GRM5 P41594 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
ADAM17 P78536 1/20 0.47
PPARA Q07869 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL1665718 0.90 MAOB (0.62) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL1672184 0.90 MAOB (0.62) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL2940856 0.90 MAOB (0.62) MAOBMAOASCN9AADAMTS4MMP13
Water SCHEMBL1672445 0.89 MAOB (0.61) MAOBMAOASCN9AADAMTS4MMP13
Water SCHEMBL1672694 0.89 MAOB (0.61) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL1665416 0.89 MAOB (0.56) MAOBMAOASCN9AADAMTS4MMP13
SCHEMBL4540936 0.81 MAOB (0.69) MAOBMAOASCN9AGRM5PPARA
SCHEMBL4540931 0.81 MAOB (0.69) MAOBMAOASCN9AGRM5PPARA
SCHEMBL8640665 0.80 MAOB (0.49) MAOBMAOASCN9ABCHE
Hydrochloric Acid SCHEMBL31070308 0.80 MAOB (0.68) MAOBMAOASCN9ABCHE

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
EP-1589959-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS Dynogen Pharmaceuticals Inc. (US) 2005-11-02 EP disclosed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed