SCHEMBL2659952

SCHEMBL2659952

CCCOC1(NC2CCCC2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.32
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL2659763 1.00 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19ALDH1A1EPHX1
SCHEMBL2660323 1.00 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19ALDH1A1EPHX1
SCHEMBL2658653 0.85 SHBG (0.34) ALDH1A1EPHX1KDM4EHSD17B10LMNA
SCHEMBL2659785 0.85 SHBG (0.34) ALDH1A1EPHX1KDM4EHSD17B10LMNA
SCHEMBL2659288 0.85 SHBG (0.34) ALDH1A1EPHX1KDM4EHSD17B10LMNA
SCHEMBL2658545 0.84 LMNA (0.36) LMNAMAPTNPSR1
SCHEMBL2658753 0.76 EPHX1 (0.32) ALDH1A1EPHX1HSD17B10KMT2A
SCHEMBL2660197 0.75 MAPT (0.39) ALDH1A1HSD17B10SIGMAR1MAPTMAPK1
SCHEMBL2658566 0.75 MAPT (0.39) ALDH1A1HSD17B10SIGMAR1MAPTMAPK1
SCHEMBL2659555 0.75 MAPT (0.39) ALDH1A1HSD17B10SIGMAR1MAPTMAPK1

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-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO disclosed