SCHEMBL7768538

SCHEMBL7768538

Nc1ccn(-c2ccc(OC(F)(F)F)cc2)c(=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MCHR1 Q99705 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGS2 P35354 1/20 0.38
CES1 P23141 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL15639205 0.81 MCHR1 (0.45) MCHR1L3MBTL1POLBMAPTNPC1
SCHEMBL1259216 0.79 L3MBTL1 (0.42) ATMMCHR1L3MBTL1POLBMAPT
SCHEMBL10059789 0.79 MCHR1 (0.43) MCHR1L3MBTL1POLBMAPTNPC1
SCHEMBL7765476 0.79 ALDH1A1 (0.62) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL20631981 0.78 PRKCI (0.45) ALDH1A1ALOX15SMN1; SMN2MCHR1L3MBTL1
SCHEMBL7768468 0.76 ALDH1A1 (0.68) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL10059454 0.76 MAPT (0.50) ATMMCHR1L3MBTL1POLBMAPT
SCHEMBL16475149 0.75 MMP2 (0.40) MCHR1L3MBTL1POLBMAPTKDM4E
SCHEMBL7765437 0.74 ALDH1A1 (0.70) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL16474755 0.74 POLB (0.47) ATMMCHR1L3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071911-A A 1-PHENYL-2-OXO-4-AMINO, PIPERIDINO, MORPHOLINO OR PYRROLIDINO-1,2-DIHYDROPYRIDINE; ANTIEPILEPTIC AGENTS; ANTICONVULSANTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-06-06 US claimed
EP-1102748-A1 NEW 4-AMINO-1-ARYL-PYRIDINE-2-ONES WITH ANTICONVULSIVE ACTION AND METHOD FOR PRODUCING SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2001-05-30 EP disclosed
US-6071911-A A 1-PHENYL-2-OXO-4-AMINO, PIPERIDINO, MORPHOLINO OR PYRROLIDINO-1,2-DIHYDROPYRIDINE; ANTIEPILEPTIC AGENTS; ANTICONVULSANTS ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-06-06 US disclosed
WO-2000007988-A1 NEW 4-AMINO-1-ARYL-PYRIDINE-2-ONES WITH ANTICONVULSIVE ACTION AND METHOD FOR PRODUCING SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-02-17 WO disclosed