SCHEMBL3831333

SCHEMBL3831333

COc1ccc(C(=O)N(Cc2ccc(N3CCN(C)CC3)nc2)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
PRKAA2 P54646 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
HDAC2 Q92769 1/20 0.43
HTR2A P28223 1/20 0.42
OPRM1 P35372 2/20 0.42
SLC2A1 P11166 1/20 0.42
OPRK1 P41145 1/20 0.41
SLC2A4 P14672 1/20 0.41
SLC2A8 Q9NY64 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2D6 P10635 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL3823112 0.90 RAB9A (0.52) HSD17B10MEN1KMT2AME2ME1
SCHEMBL3823083 0.89 VNN1 (0.48) HSD17B10PRKAA2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3825171 0.89 RAB9A (0.53) KMT2AME2ME1ME3HTR2A
SCHEMBL3830332 0.89 MEN1 (0.45) MEN1KMT2AME2ME1ME3
Hydrochloric Acid SCHEMBL3822406 0.88 RAB9A (0.52) KMT2AME2ME1ME3HTR2A
SCHEMBL4735615 0.88 MAPK14 (0.45) MEN1KMT2AME2ME1ME3
SCHEMBL3826946 0.87 SMN1; SMN2 (0.56) PRKAA2MEN1KMT2AME2ME1
SCHEMBL8195090 0.87 L3MBTL1 (0.40) HSD17B10PRKAA2MEN1KMT2AME2
SCHEMBL3829727 0.87 QPCT (0.43) HSD17B10PRKAA2MEN1KMT2AME2
SCHEMBL3825957 0.86 EP300 (0.49) PRKAA2MEN1KMT2AOPRM1OPRK1

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-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed