SCHEMBL6167913

SCHEMBL6167913

CCCCOC(=O)ON1CCC(c2nc(-c3ccc(C(C)(C)C)cc3)c[nH]2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
P2RY14 Q15391 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
TRPC3 Q13507 1/20 0.32
TRPC7 Q9HCX4 1/20 0.32
BTK Q06187 6/20 0.32
PIN1 Q13526 1/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
BCHE P06276 1/20 0.31
CHRM3 P20309 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
SCHEMBL6166813 0.89 MIF (0.41) POLBMAPTHRH2HRH1
SCHEMBL6167911 0.89 L3MBTL1 (0.37) P2RY14HRH3CHRM3
SCHEMBL6166850 0.88 HRH2 (0.35) MAPTP2RY14HRH3BTKHRH2
SCHEMBL6168057 0.87 MEN1 (0.41) TRPC6MEN1KMT2AMAPTTRPC3
SCHEMBL6168913 0.79 KDM4E (0.41)
SCHEMBL6166739 0.79 CHRM2 (0.37) MEN1KMT2AHRH3CHRM3
SCHEMBL6166218 0.79 KDM4E (0.36) MEN1KMT2APOLBMAPTTRPC3
SCHEMBL6166669 0.76 ABL1 (0.41) TRPC6MEN1KMT2AABL1BCR
SCHEMBL6166994 0.76 KDM4E (0.46)
SCHEMBL6164853 0.76 HTT (0.46) MEN1KMT2APOLBMAPTHRH2

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-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP claimed