SCHEMBL1376910

SCHEMBL1376910

Brc1cccc(C(C(c2cccnc2)c2cccnc2)N2CC[CH]CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
KCNA5 P22460 4/20 0.35
CYP11B1 P15538 5/20 0.34
CYP11B2 P19099 4/20 0.34
CYP19A1 P11511 3/20 0.34
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
KCNN4 O15554 1/20 0.34
CFTR P13569 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GOPC Q9HD26 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 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
SCHEMBL1376909 1.00 LMNA (0.38) LMNATHRBKCNA5CYP11B1CYP11B2
SCHEMBL1242820 0.86 LMNA (0.40) LMNATHRBKCNA5CYP11B1CYP11B2
SCHEMBL1242224 0.84 MBTD1 (0.39) LMNATHRBKCNA5CYP11B1MBTD1
SCHEMBL1243604 0.80 LMNA (0.36) LMNATHRBKCNA5CYP11B1CYP11B2
SCHEMBL1242278 0.78 LMNA (0.37) LMNATHRBKCNA5MBTD1L3MBTL3
SCHEMBL1242276 0.78 LMNA (0.37) LMNATHRBKCNA5MBTD1L3MBTL3
SCHEMBL1242275 0.77 LMNA (0.40) LMNATHRBKCNA5MBTD1L3MBTL3
SCHEMBL1242226 0.77 KCNA5 (0.45) LMNATHRBKCNA5ALDH1A1CYP2C19
SCHEMBL1240825 0.76 LMNA (0.39) LMNATHRBKCNA5CYP11B1CYP11B2
SCHEMBL1242386 0.72 CFTR (0.41) LMNATHRBKCNA5CYP11B1CYP11B2

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 5 patents. 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
JP-4719745-B2 2011-07-06 JP claimed
EP-1781635-A4 POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-02-25 EP claimed
EP-1781635-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2007-05-09 EP claimed
WO-2006015159-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO claimed