SCHEMBL9928473

SCHEMBL9928473

OC(c1ccccc1)(c1ccccn1)C(c1ccccc1)N1CCCC1CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.42
KCNA5 P22460 7/20 0.38
KCNH2 Q12809 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DAGLA Q9Y4D2 4/20 0.37
ABHD6 Q9BV23 3/20 0.37
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
ABHD11 Q8NFV4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9903537 0.89 CHRM3 (0.41) CHRM3KCNA5KCNH2MEN1KMT2A
SCHEMBL1243557 0.76 KCNA5 (0.64) CHRM3KCNA5KCNH2MEN1KMT2A
SCHEMBL1240383 0.71 KCNA5 (0.75) KCNA5KCNH2MEN1KMT2ACYP3A4
SCHEMBL1243326 0.69 KCNA5 (0.57) CHRM3KCNA5KCNH2CHRM2
SCHEMBL1243324 0.69 KCNA5 (0.57) CHRM3KCNA5KCNH2CHRM2
SCHEMBL12890849 0.66 SMN1; SMN2 (0.48) CHRM3KCNA5KCNH2MEN1KMT2A
SCHEMBL1242086 0.66 KCNA5 (0.43) CHRM3KCNA5KCNH2MEN1KMT2A
SCHEMBL12734441 0.65 CYP2D6 (0.41) CHRM3CYP2D6
SCHEMBL12734546 0.65 CYP2D6 (0.41) CHRM3CYP2D6
SCHEMBL1242847 0.65 KCNA5 (0.51) KCNA5KCNH2MEN1KMT2ACYP3A4

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-1781635-B1 POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2012-06-13 EP disclosed