SCHEMBL2843679

SCHEMBL2843679

CN1CCN(C(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(Cl)cc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 3/20 0.52
▸ TSHR P16473 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PGR P06401 1/20 0.43

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
SCHEMBL2842326 0.91 MC4R (0.48) MC4RTSHR
SCHEMBL2837619 0.91 ALDH1A1 (0.48) MC4RTSHRALDH1A1GLAGAA
SCHEMBL2843076 0.91 MC4R (0.48) MC4RTSHRALDH1A1GLAGAA
SCHEMBL2836197 0.90 MC4R (0.53) MC4RTSHRALDH1A1GAAL3MBTL1
SCHEMBL2845584 0.89 ALDH1A1 (0.48) MC4RTSHRALDH1A1GLAGAA
SCHEMBL2844709 0.89 MC4R (0.66) MC4RTSHRALDH1A1GAAL3MBTL1
SCHEMBL13381944 0.88 MC4R (0.50) MC4RTSHRL3MBTL1MAPTPGR
SCHEMBL2843950 0.86 MC4R (0.53) MC4RTSHRALDH1A1GAAL3MBTL1
SCHEMBL2843843 0.85 MC4R (0.52) MC4RTSHRALDH1A1GAAL3MBTL1
SCHEMBL2839988 0.85 MC4R (0.49) MC4RTSHRALDH1A1GLAGAA

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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