SCHEMBL9901432

SCHEMBL9901432

N#Cc1cccc(C(C(c2cccnc2)c2cccnc2)N2CCC(N(C(=O)O)c3ccccc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.46
KCNA5 P22460 2/20 0.40
MCHR1 Q99705 1/20 0.39
CHRM3 P20309 1/20 0.38

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
SCHEMBL1243595 0.80 CYP3A4 (0.44) MGLLKCNA5
SCHEMBL1243596 0.80 KCNA5 (0.41) MGLLKCNA5
SCHEMBL1243080 0.79 CYP3A4 (0.41) MGLLKCNA5
SCHEMBL1243062 0.79 KCNA5 (0.42) MGLLKCNA5
SCHEMBL1242438 0.78 MGLL (0.46) MGLLKCNA5
SCHEMBL1240757 0.78 KCNA5 (0.42) MGLLKCNA5
SCHEMBL1242330 0.77 MGLL (0.46) MGLLKCNA5
SCHEMBL1242190 0.77 KCNA5 (0.41) MGLLKCNA5
SCHEMBL1243188 0.76 MGLL (0.42) MGLLKCNA5
SCHEMBL1242037 0.75 KCNA5 (0.45) MGLLKCNA5

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 claimed