SCHEMBL4714484

SCHEMBL4714484

Cc1cc(NC(C)C(=O)N2CCNCC2)ccc1Oc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.43
KCNQ2 O43526 3/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
HTR2A P28223 8/20 0.41
HTR2C P28335 8/20 0.41
HTR2B P41595 8/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NAMPT P43490 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL3138610 0.85 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3142636 0.81 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1HTR2A
SCHEMBL3138625 0.74 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL6179288 0.73 KCNQ3 (0.53) KCNQ3KCNQ2KCNE1KCNQ1HTR2A
SCHEMBL6180870 0.73 KCNQ3 (0.57) KCNQ3KCNQ2KCNE1KCNQ1HTR2C
SCHEMBL14496838 0.73 KCNQ3 (0.40) KCNQ3KCNQ2KCNE1KCNQ1HTR2A
SCHEMBL3027034 0.73 MEN1 (0.48) KDM4EUSP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3129054 0.72 PRKAA2 (0.51) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL12522866 0.71 KCNQ3 (0.55) KCNQ3KCNQ2KCNE1KCNQ1KDM4E
SCHEMBL3062018 0.71 HRH3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed