SCHEMBL7204445

SCHEMBL7204445

CC(C)(C)OC(=O)N1CCCC[C@H]1CNc1ncc(Br)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
KDM1A O60341 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 1/20 0.42
PDE8B O95263 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
PDE7B Q9NP56 1/20 0.39
UCHL1 P09936 1/20 0.39

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
SCHEMBL889104 1.00 PRMT5 (0.46) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL12810103 0.97 FPR3 (0.49) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL889008 0.92 FPR3 (0.42) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL1598119 0.86 HCRTR1 (0.49) HCRTR1HCRTR2OPRD1ALOX5APFEN1
SCHEMBL1598122 0.86 HCRTR1 (0.49) HCRTR1HCRTR2OPRD1ALOX5APFEN1
SCHEMBL888987 0.85 PRMT5 (0.48) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL1597840 0.85 PRMT5 (0.44) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL1597836 0.85 PRMT5 (0.44) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL1597402 0.85 NPC1 (0.48) PRMT5FPR3FPR2KDM1ATRPV1
SCHEMBL1597407 0.85 NPC1 (0.48) PRMT5FPR3FPR2KDM1ATRPV1

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-2003051368-A1 N-AROYL CYCLIC AMINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-06-26 WO disclosed