SCHEMBL5261875

SCHEMBL5261875

CO/N=C1\CN(c2c(F)cc3c(=O)c(OC(=O)O)cn(C4CC4)c3c2F)CC1(C)CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.46
CHRM2 P08172 2/20 0.42
DRD1 P21728 1/20 0.42
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 3/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 3/20 0.38
OPRM1 P35372 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PRKD3 O94806 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK2 P49760 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
CHRM1 P11229 1/20 0.37
OPRD1 P41143 1/20 0.37
TOP2A P11388 3/20 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
SCHEMBL5261868 0.91 KCNH2 (0.57) KCNH2CHRM2DRD1DPP4KDM4E
Hydrochloric Acid SCHEMBL5263989 0.90 KCNH2 (0.56) KCNH2CHRM2DRD1DPP4KDM4E
Hydrochloric Acid SCHEMBL5263986 0.90 KCNH2 (0.56) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL5261841 0.86 KCNH2 (0.43) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL5259910 0.86 KDM4E (0.45) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL15300273 0.85 DPP4 (0.57) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL5312783 0.85 DPP4 (0.57) KCNH2CHRM2DRD1DPP4KDM4E
SCHEMBL9667819 0.83 KCNH2 (0.54) KCNH2CHRM2KDM4EHSD17B10ALDH1A1
SCHEMBL9668131 0.82 KCNH2 (0.50) KCNH2CHRM2KDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL9666886 0.81 KCNH2 (0.49) KCNH2CHRM2KDM4EHSD17B10LMNA

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
EP-1187835-B1 OPTICALLY ACTIVE QUINOLINE CARBOXYLIC ACID DERIVATIVES HAVING 7-PYRROLIDINE SUBSTITUTES CAUSING OPTICAL ACTIVITY AND A PROCESS FOR PREPARING THEREOF DONG WHA PHARM IND CO LTD (KR) 2007-12-26 EP claimed