SCHEMBL2842406

SCHEMBL2842406

COc1ccccc1C(CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ MC4R P32245 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 1/20 0.47

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
SCHEMBL2839209 0.89 TSHR (0.48) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2842779 0.89 L3MBTL1 (0.51) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2843841 0.88 MC4R (0.49) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2840401 0.88 MC4R (0.49) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2844709 0.88 MC4R (0.66) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2839986 0.88 MC4R (0.49) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2839988 0.88 MC4R (0.49) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2842320 0.87 MC4R (0.48) GAAL3MBTL1ALDH1A1MC4RTSHR
SCHEMBL2846591 0.87 L3MBTL1 (0.66) GAAL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL2846692 0.86 L3MBTL1 (0.62) GAAL3MBTL1ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO claimed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
WO-2010039911-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-04-08 — — WO disclosed
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