SCHEMBL6263243

SCHEMBL6263243

NC(=O)C(NCc1ccc(OCc2cccc(F)c2)cc1)(c1ccccc1)N(NCc1ccc(OCc2ccccc2F)cc1)C(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 1/20 0.46
MAOB P27338 8/20 0.45
SCN9A Q15858 2/20 0.45
MAOA P21397 2/20 0.45
PPARA Q07869 1/20 0.43
PARP10 Q53GL7 2/20 0.43
NR4A2 P43354 1/20 0.41
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40

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
SCHEMBL5536874 0.75 MAOB (0.53) MAOBSCN9AMAOAPPARAPARP10
SCHEMBL6260945 0.75 LPAR1 (0.45) SCN3AMAOBSCN9AMAOAPARP10
SCHEMBL1067948 0.71 MAOB (0.65) MAOBSCN9AMAOAPPARAPARP10
SCHEMBL920177 0.70 SCN3A (0.65) SCN3AMAOBSCN9APARP10LPAR1
SCHEMBL5684437 0.69 SCN3A (0.55) SCN3AMAOBSCN9APARP10LPAR1
SCHEMBL5684175 0.68 MAOB (0.56) MAOBSCN9AMAOAPPARAPARP10
SCHEMBL8083083 0.68 MAOB (0.47) MAOBSCN9AMAOAPPARAPARP10
SCHEMBL5684098 0.68 MAOB (0.53) MAOBSCN9AMAOAPPARAPARP10
SCHEMBL5185026 0.68 SCN3A (0.61) SCN3AMAOBSCN9APARP10LPAR1
SCHEMBL1070855 0.67 SCN9A (0.67) SCN3AMAOBSCN9AMAOAPARP10

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