SCHEMBL7865863

SCHEMBL7865863

CC(Cc1ccc(Oc2cccc(F)c2)cc1)N[C@@H](C(N)=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALOX5 P09917 1/20 0.44
FFAR1 O14842 1/20 0.43
PTGS1 P23219 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
SCN9A Q15858 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
KMT2A Q03164 1/20 0.43
HAT1 O14929 1/20 0.43
EP300 Q09472 1/20 0.43
GPR34 Q9UPC5 1/20 0.42
GLI1 P08151 1/20 0.41
GLI2 P10070 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL5695674 1.00 ACACB (0.46) ACACBPPARGPPARACNR1CNR2
Ethane SCHEMBL7865865 0.83 MAOB (0.52) ALOX5PTGS1MAOBMAOASCN9A
SCHEMBL5684137 0.82 MAOB (0.51) PPARGPPARACNR2MAOBMAOA
SCHEMBL5684150 0.82 MAOB (0.51) PPARGPPARACNR2MAOBMAOA
SCHEMBL5684469 0.81 ULK1 (0.51) FFAR1KMT2AHAT1EP300GLI1
SCHEMBL5695724 0.81 ULK1 (0.51) FFAR1KMT2AHAT1EP300GLI1
SCHEMBL5684479 0.81 ULK1 (0.51) FFAR1KMT2AHAT1EP300GLI1
SCHEMBL5682167 0.80 LTA4H (0.46) FFAR1MAOBMAOASCN9AKMT2A
Cyclopropane SCHEMBL7860821 0.80 HTR2C (0.50) PPARGPPARAMAOBMAOASCN9A
SCHEMBL5697034 0.77 BACE1 (0.41) PPARGPPARACNR2FFAR1

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
US-6303819-B1 SODIUM CHANNEL-BLOCKING AGENT; CHRONIC OR NEUROPATHIC PAIN. NEWRON PHARMACEUTICALS S.P.A. (IT) 2001-10-16 US disclosed
EP-1044186-A1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS Newron Pharmaceuticals S.p.A. (IT) 2000-10-18 EP disclosed
WO-1999035123-A1 SUBSTITUTED 2-BENZYLAMINO-2-PHENYL-ACETAMIDE COMPOUNDS NEWRON PHARMACEUTICALS S.P.A. (IT) 1999-07-15 WO disclosed