SCHEMBL5729152

SCHEMBL5729152

COC(=O)CC1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC(=O)N1NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.41
F10 P00742 13/20 0.37
ACACB O00763 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL5729062 0.84 F10 (0.41) F10F2
SCHEMBL5729275 0.82 HSD11B1 (0.37) RORC
SCHEMBL5729315 0.77 F10 (0.53) F10
SCHEMBL5729645 0.77 F10 (0.44) F10F2
SCHEMBL5735437 0.76 F10 (0.41) RORCF10F2
SCHEMBL5735439 0.76 F10 (0.41) RORCF10F2
SCHEMBL5729156 0.75 F10 (0.49) F10F2
SCHEMBL5730186 0.74 F10 (0.47) F10F2
SCHEMBL6730470 0.73 GLRA3 (0.43) F10F2
SCHEMBL6730840 0.73 GLRA3 (0.43) F10F2

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
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed