SCHEMBL219546

SCHEMBL219546

CC(C)N1CCC(N(C)S(=O)(=O)CCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.51
NLRP3 Q96P20 1/20 0.43
ACHE P22303 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
DRD2 P14416 1/20 0.39
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL221260 0.83 MAOB (0.46) MAOBNLRP3ACHEDRD2
SCHEMBL222333 0.78 MAOB (0.52) MAOBACHEDRD2
SCHEMBL222398 0.77 MAOB (0.41) MAOBNLRP3ACHEDRD2HPGD
SCHEMBL4592502 0.76 MAOB (0.50) MAOBACHE
SCHEMBL4592504 0.75 MAOB (0.49) MAOBACHEDRD2HPGD
SCHEMBL4592501 0.74 MAOB (0.48) MAOBACHEHPGD
SCHEMBL11090037 0.74
SCHEMBL3761385 0.74 MAOB (0.50) MAOBNLRP3ACHE
SCHEMBL223192 0.73 HTR2A (0.34) HTR2AHTR2CUSP2HPGDHSD17B10
SCHEMBL3963524 0.68 MAOB (1.00) MAOBDRD2

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
US-8088925-B2 low molecular weight factor Xa specific blood clotting inhibitors; less side effects; 5-Chloro-thiophene-2-carboxylic acid [2-(1-isopropyl-piperidin-4-ylsulfamoyl)-ethyl]-amide; thromboembolic diseases or restenosis; antithrombotic agents SANOFI-AVENTIS (FR) 2012-01-03 US disclosed