SCHEMBL5728996

SCHEMBL5728996

CC(C)(C)OC(=O)N1CCC(NN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.48
F10 P00742 3/20 0.43
EPHX2 P34913 2/20 0.43
TGM2 P21980 6/20 0.42
F13A1 P00488 5/20 0.42
GPR119 Q8TDV5 4/20 0.42
TGM1 P22735 3/20 0.41
TGM3 Q08188 1/20 0.40

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
SCHEMBL5728864 0.88 STS (0.47) STSF10TGM2F13A1GPR119
SCHEMBL5729524 0.86 F10 (0.43) STSF10
SCHEMBL7053181 0.85 STS (0.48) STSF10GPR119
SCHEMBL6887446 0.85 GPR119 (0.47) STSF10TGM2F13A1GPR119
Hydrochloric Acid SCHEMBL7535015 0.84 F10 (0.43) F10
SCHEMBL6895114 0.84 STS (0.46) STSF10GPR119
SCHEMBL5729645 0.83 F10 (0.44) F10
SCHEMBL5202414 0.81 STS (0.57) STSF10TGM2F13A1TGM1
SCHEMBL7053070 0.81 STS (0.43) STSF10GPR119
SCHEMBL7049250 0.80 STS (0.43) STSF10TGM2F13A1GPR119

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