SCHEMBL5684137

SCHEMBL5684137

NC(=O)[C@H](NCc1ccc(Oc2cccc(F)c2)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
SCN9A Q15858 1/20 0.51
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KLKB1 P03952 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL5684150 1.00 MAOB (0.51) MAOBMAOASCN9AHTR2CHTR2B
Ethane SCHEMBL7865865 0.98 MAOB (0.52) MAOBMAOASCN9AHTR2CHTR2B
Cyclopropane SCHEMBL7860821 0.97 HTR2C (0.50) MAOBMAOASCN9AHTR2CHTR2B
SCHEMBL5684469 0.90 ULK1 (0.51) HTR2CHTR2BKMT2A
SCHEMBL5695724 0.90 ULK1 (0.51) HTR2CHTR2BKMT2A
SCHEMBL5684479 0.90 ULK1 (0.51) HTR2CHTR2BKMT2A
SCHEMBL5682167 0.88 LTA4H (0.46) MAOBMAOASCN9AKMT2A
SCHEMBL1070319 0.84 MAOB (0.72) MAOBMAOASCN9APPARA
SCHEMBL5680157 0.84 MAOB (0.72) MAOBMAOASCN9APPARA
SCHEMBL5695674 0.82 ACACB (0.46) MAOBMAOASCN9AMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044186-B9 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARM SPA (IT) 2006-06-21 EP disclosed
EP-1044186-B1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARM SPA (IT) 2006-03-08 EP disclosed
US-6303819-B1 SODIUM CHANNEL-BLOCKING AGENT; CHRONIC OR NEUROPATHIC PAIN. NEWRON PHARMACEUTICALS S.P.A. (IT) 2001-10-16 US disclosed