SCHEMBL5729803

SCHEMBL5729803

CC(C)(C)OC(=O)N1CCCCC1N(CC#N)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.37
ALDH1A1 P00352 1/20 0.36
APP P05067 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
HRH2 P25021 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
PSEN1 P49768 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL5728780 0.88 F10 (0.39) F10ALDH1A1
SCHEMBL5729524 0.79 F10 (0.43) F10ALDH1A1
SCHEMBL7482548 0.78 F10 (0.39) F10ALDH1A1APPHTR1AADRA2A
SCHEMBL5729556 0.78 STS (0.42) F10ALDH1A1
SCHEMBL5728783 0.78 APP (0.44) F10ALDH1A1APPHTR1AADRA2A
SCHEMBL6895114 0.74 STS (0.46) F10ALDH1A1
SCHEMBL6887446 0.74 GPR119 (0.47) F10
SCHEMBL7053070 0.73 STS (0.43) F10
SCHEMBL6796176 0.73 F10 (0.54) F10
SCHEMBL6726000 0.73 F10 (0.41) F10

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