SCHEMBL17059348

SCHEMBL17059348

C=Nc1nnc(C2(c3ccccc3)CCCCC2)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD11B1 P28845 4/20 0.37
HSD11B2 P80365 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL9607808 0.82 CSNK1A1 (0.42) ALDH1A1L3MBTL1HSD11B1HSD11B2MEN1
SCHEMBL9607809 0.80 CSNK1A1 (0.43) ALDH1A1L3MBTL1HSD11B1HSD11B2MEN1
SCHEMBL9607818 0.75 CSNK1A1 (0.44) HSD11B1HSD11B2MEN1KMT2A
SCHEMBL17059172 0.73 OPRM1 (0.38) HSD11B1MEN1KMT2A
SCHEMBL24157288 0.68 ESR1 (0.58) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30877914 0.68 ESR1 (0.58) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30877902 0.68 ESR1 (0.58) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28378542 0.68 ESR1 (0.58) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL30078304 0.68 ESR1 (0.58) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL54982 0.68 ESR1 (0.58) ALDH1A1L3MBTL1MEN1KMT2A

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-2451807-B1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIV GREENWICH (GB) 2015-09-02 EP disclosed