SCHEMBL2839209

SCHEMBL2839209

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ MC4R P32245 1/20 0.48
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ MMP14 P50281 1/20 0.41

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
SCHEMBL2842406 0.89 GAA (0.56) TSHRMC4RGAAL3MBTL1MAPT
SCHEMBL2841154 0.87 MC4R (0.49) TSHRMC4RGAAL3MBTL1MAPT
SCHEMBL2844709 0.85 MC4R (0.66) TSHRMC4RGAAL3MBTL1ALDH1A1
SCHEMBL2842779 0.84 L3MBTL1 (0.51) TSHRMC4RGAAL3MBTL1ALDH1A1
SCHEMBL2839988 0.84 MC4R (0.49) TSHRMC4RGAAL3MBTL1ALDH1A1
SCHEMBL2840401 0.84 MC4R (0.49) TSHRMC4RGAAL3MBTL1ALDH1A1
SCHEMBL2843841 0.84 MC4R (0.49) TSHRMC4RGAAL3MBTL1ALDH1A1
SCHEMBL2839986 0.84 MC4R (0.49) TSHRMC4RGAAL3MBTL1ALDH1A1
SCHEMBL2838266 0.83 MC4R (0.57) TSHRMC4RGAAL3MBTL1MAPT
SCHEMBL2842320 0.83 MC4R (0.48) TSHRMC4RGAAL3MBTL1ALDH1A1

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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