SCHEMBL5729683

SCHEMBL5729683

CC(C)(C)OC(=O)NN1C=CN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.43
CTSL P07711 5/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CTSB P07858 2/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 4/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HTR2C P28335 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28046680 0.80 KMT2A (0.47) CTSLKMT2AL3MBTL1CTSBCTSS
SCHEMBL6892253 0.77 DRD2 (0.50) CTSLKLK7KLK5KMT2AL3MBTL1
SCHEMBL6892252 0.77 DRD2 (0.50) CTSLKLK7KLK5KMT2AL3MBTL1
SCHEMBL3981472 0.76 HTR2C (0.46) KMT2AL3MBTL1HTR2CNPC1GAA
SCHEMBL7958941 0.74 MEN1 (0.52) SYKCTSLKMT2ANPC1RAB9A
SCHEMBL6205866 0.73 PPARA (0.38) SYKCTSLKLK7KLK5PPARA
SCHEMBL14547790 0.73 CACNA1G (0.45) CTSLKMT2AL3MBTL1CTSBHTR2C
SCHEMBL21946048 0.72 HTR2C (0.40) CTSLKMT2AL3MBTL1CTSBCTSS
SCHEMBL5574715 0.72 SYK (0.43) SYKCTSLKLK7KLK5PPARA
SCHEMBL6893895 0.72 GPR119 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2

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