SCHEMBL8324481

SCHEMBL8324481

CN(C)C([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
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 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
OPRM1 P35372 2/20 0.37
OPRL1 P41146 2/20 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
SCHEMBL8324682 0.84 TP53 (0.40) TAAR1PPARGPPARANPC1SLC6A2
SCHEMBL8323592 0.83 NOS3 (0.40) NFE2L2PPARGPPARAMAOBSLC6A2
SCHEMBL8326976 0.82 MAOB (0.45) TAAR1CYP2D6NPC1MAOBSLC6A2
SCHEMBL8327755 0.82 PNMT (0.41) TAAR1NPC1CHRM5RAB9AMAOB
SCHEMBL8322396 0.82 HTR2A (0.46) NFE2L2MEN1KMT2APPARGPPARA
SCHEMBL8324959 0.81 SIGMAR1 (0.39) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL8330718 0.80 NFE2L2 (0.49) NFE2L2TAAR1PPARGPPARACYP1A2
SCHEMBL8323270 0.79 KDM4E (0.36) MEN1KMT2APPARGPPARACYP3A4
SCHEMBL8322850 0.77 NFE2L2 (0.45) NFE2L2TAAR1PPARGPPARACYP1A2
SCHEMBL8325718 0.75 CYP2C19 (0.40) TAAR1PPARGPPARAMAOBSLC6A2

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