SCHEMBL6260945

SCHEMBL6260945

CN(Cc1ccc(OCc2ccccc2F)cc1)N(C(=O)Cc1ccccc1)C(C(N)=O)(c1ccccc1)N(C)Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.45
LPAR5 Q9H1C0 2/20 0.45
MAOB P27338 8/20 0.44
MAOA P21397 3/20 0.44
NR4A2 P43354 1/20 0.42
PARP10 Q53GL7 1/20 0.41
ALOX5 P09917 3/20 0.41
SCN9A Q15858 2/20 0.40
KCNH2 Q12809 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL6263243 0.75 SCN3A (0.46) LPAR1LPAR5MAOBMAOANR4A2
SCHEMBL3969640 0.73 MAOB (0.59) MAOBMAOANR4A2PARP10SCN9A
SCHEMBL1070268 0.68 MAOB (0.58) MAOBMAOANR4A2PARP10SCN9A
SCHEMBL3498062 0.66 NR4A2 (0.72) MAOBMAOANR4A2PARP10SCN9A
SCHEMBL1069153 0.66 SCN9A (0.57) LPAR1LPAR5MAOBPARP10SCN9A
SCHEMBL7396562 0.65 MAOB (0.71) MAOBMAOANR4A2PARP10SCN9A
SCHEMBL9129876 0.65 MAOB (0.71) MAOBMAOANR4A2PARP10SCN9A
SCHEMBL5536874 0.65 MAOB (0.53) MAOBMAOANR4A2PARP10SCN9A
SCHEMBL3500758 0.65 MAOB (0.63) LPAR1LPAR5MAOBPARP10SCN9A
SCHEMBL8935241 0.64 MAOB (0.63) MAOBMAOANR4A2PARP10SCN9A

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-2005070405-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF LOWER URINARY TRACT DISORDERS NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-08-04 WO claimed