SCHEMBL4021493

SCHEMBL4021493

O=C(O)C(C(=O)C1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 4/20 0.35
DPP4 P27487 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
NOTUM Q6P988 1/20 0.35
POLB P06746 1/20 0.33
TRPA1 O75762 1/20 0.33
GRM5 P41594 1/20 0.33
PRCP P42785 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL4021827 0.84 SLC6A3 (0.42) KDM4EMAPTCNR1CNR2GAA
SCHEMBL4024212 0.74 MEN1 (0.38) GAASMN1; SMN2MEN1KMT2A
SCHEMBL8007655 0.73 SRC (0.61) MAPTGAAMEN1CYP2D6KMT2A
SCHEMBL4025663 0.72 DPP4 (0.38) DPP4DPP7SLC6A3KMT2A
SCHEMBL4021356 0.72 SLC6A3 (0.40) GAAHPGDSMN1; SMN2SLC6A3MEN1
SCHEMBL5220963 0.71 SRC (0.61) PPARGPOLBPPARAMEN1CYP2D6
SCHEMBL4032283 0.70 GAA (0.43) GAAHPGDSMN1; SMN2SLC6A3MEN1
SCHEMBL23833570 0.69 TSHR (0.39) KDM4EMAPTGAANOTUMSRC
SCHEMBL4020465 0.69 HSD17B10 (0.45) KDM4EMAPTGAAHPGDSMN1; SMN2
SCHEMBL10347284 0.68 PPARG (0.40) CNR2PPARGPOLBPPARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009100403-A1 SUBSTITUTED ARYL PYRIMIDINONES NEUROGEN CORPORATION (US) 2009-08-13 WO disclosed