SCHEMBL1673135

SCHEMBL1673135

N=C(N)NCCC[C@H](N)C(=O)N(C(=O)c1ccccc1)c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.38
MC5R P33032 3/20 0.38
MC1R Q01726 3/20 0.38
MC3R P41968 2/20 0.38
CTSG P08311 1/20 0.37
MMP9 P14780 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MTNR1A P48039 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
EPHX2 P34913 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
F10 P00742 1/20 0.32
METAP2 P50579 1/20 0.32

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
SCHEMBL27797839 1.00 MC4R (0.38) MC4RMC5RMC1RMC3RCTSG
SCHEMBL7860951 0.87 ANPEP (0.40) MC4RMC5RMC1RMC3RMMP9
SCHEMBL14861006 0.87 ANPEP (0.40) MC4RMC5RMC1RMC3RMMP9
SCHEMBL2304374 0.82 MC4R (0.39) MC4RMC5RMC1RMC3RCTSG
SCHEMBL28896045 0.81 MMP9 (0.41) MC4RMC5RMC1RMC3RMMP9
SCHEMBL7717724 0.77 ALDH1A1 (0.44) MC4R
SCHEMBL22346178 0.77 ALDH1A1 (0.44) MC4R
SCHEMBL10419724 0.77 CTSG (0.31) MC4RMC5RMC1RMC3RCTSG
SCHEMBL537112 0.76 ANPEP (0.36) MC4RMC5RMC1RMC3REPHX2
Hydrochloric Acid SCHEMBL27842009 0.76 ALDH1A1 (0.43) MC4R

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222404-B1 PROTEASE DETECTION MOLOGIC LTD (GB) 2018-08-01 EP disclosed
US-9376706-B2 Protease detection MOLOGIC LIMITED (GB) 2016-06-28 US disclosed
US-20150152471-A1 PROTEASE DETECTION MOLOGIC LIMITED (GB) 2015-06-04 US disclosed
US-8993253-B2 Protease detection MOLOGIC LTD (GB) 2015-03-31 US disclosed
CN-101896272-B Protease detection MOLOGIC LTD 2013-07-31 CN disclosed
US-20110086370-A1 Protease Detection MOLOGIC LTD (GB) 2011-04-14 US disclosed
CN-101896272-A Protease detection MOLOGIC LTD 2010-11-24 CN disclosed
EP-2222404-A2 PROTEASE DETECTION Mologic Ltd (GB) 2010-09-01 EP disclosed
WO-2009063208-A2 PROTEASE DETECTION MOLOGIC LTD (GB) 2009-05-22 WO disclosed