SCHEMBL8322850

SCHEMBL8322850

CNC([CH]c1cccc(F)c1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.45
TAAR1 Q96RJ0 3/20 0.41
SLC18A2 Q05940 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
THPO P40225 1/20 0.38
NPC1 O15118 1/20 0.38
CHRM5 P08912 1/20 0.38
GRM5 P41594 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
CNR2 P34972 1/20 0.36

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
SCHEMBL8327429 0.84 TAAR1 (0.42) TAAR1SLC18A2SIGMAR1NPC1
SCHEMBL8324972 0.83 TAAR1 (0.44) NFE2L2TAAR1SLC18A2SIGMAR1PPARG
SCHEMBL8324981 0.82 GRIN1 (0.43) TAAR1SLC18A2SIGMAR1MAPTNPC1
SCHEMBL8325015 0.82 MAOA (0.45) TAAR1SLC18A2SIGMAR1MAPTCYP2D6
SCHEMBL8326920 0.82 HTR2A (0.46) NFE2L2SIGMAR1PPARGPPARAMAPT
SCHEMBL8322028 0.81 TAAR1 (0.44) TAAR1SLC18A2SIGMAR1CYP3A4CYP2D6
SCHEMBL8330718 0.80 NFE2L2 (0.49) NFE2L2TAAR1SIGMAR1PPARGPPARA
SCHEMBL8322029 0.79 CYP3A4 (0.40) TAAR1SLC18A2SIGMAR1PPARGPPARA
SCHEMBL8324481 0.77 NFE2L2 (0.45) NFE2L2TAAR1SIGMAR1PPARGPPARA
SCHEMBL8325444 0.75 TAAR1 (0.46) TAAR1SLC18A2SIGMAR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948496-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDONE COMPOUNDS AND METHODS OF USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024780-A2 SUBSTITUTED PYRIMIDINONE AND PYRIDINONE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 WO disclosed