SCHEMBL4735517

SCHEMBL4735517

O=C(c1ccnnc1)N(Cc1ccc(N2CCC(CO)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
MLNR O43193 1/20 0.38
PRKAA2 P54646 3/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
MAPK8 P45983 1/20 0.36
CXCR2 P25025 1/20 0.36
ME2 P23368 1/20 0.36
ME1 P48163 1/20 0.36
ME3 Q16798 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4735235 0.89 GAA (0.47) MAPK14MLNRKDM4EOPRM1MAPK8
SCHEMBL4737014 0.88 HDAC2 (0.42) MAPK14MLNRKDM4EOPRM1OPRK1
SCHEMBL4735426 0.88 OPRM1 (0.43) MAPK14HSD17B10KDM4EOPRM1OPRK1
SCHEMBL4738924 0.86 OPRM1 (0.40) MAPK14KDM4EOPRM1OPRK1CXCR2
SCHEMBL4733795 0.85 KDM4E (0.51) MAPK14KDM4EOPRM1OPRK1CXCR2
SCHEMBL4737305 0.85 DRD4 (0.45) MAPK14KDM4ECXCR2ACHEALDH1A1
SCHEMBL4735512 0.85 HRH3 (0.43) MAPK14HSD17B10OPRM1OPRK1ME2
SCHEMBL4738909 0.85 TSHR (0.44) MAPK14KDM4EOPRM1OPRK1CXCR2
SCHEMBL3054819 0.84 ACHE (0.45) MLNRPRKAA2KDM4EOPRM1OPRK1
SCHEMBL4738700 0.84 MAPK14 (0.39) MAPK14MLNRHSD17B10KDM4ECXCR2

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed