SCHEMBL4436054

SCHEMBL4436054

Cc1cc(N)ccc1N1CCC(C(=O)O)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 3/20 0.58
THRB P10828 3/20 0.58
KMT2A Q03164 3/20 0.58
NR4A1 P22736 2/20 0.58
PTK2B Q14289 1/20 0.58
KDM4E B2RXH2 7/20 0.52
HSD17B10 Q99714 4/20 0.52
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GFER P55789 2/20 0.51
RAD52 P43351 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.47
NOTUM Q6P988 6/20 0.46
POLB P06746 1/20 0.45
NEK2 P51955 1/20 0.44

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
SCHEMBL12139987 0.88 ALDH1A1 (0.58) GAAMAPTALDH1A1MEN1THRB
SCHEMBL28001265 0.85 KDM4E (0.54) GAAMAPTALDH1A1MEN1THRB
SCHEMBL3436604 0.82 NOTUM (0.52) GAAKDM4EHSD17B10USP2HPGD
SCHEMBL9987978 0.82 MAPT (0.56) GAAMAPTALDH1A1MEN1THRB
SCHEMBL2070466 0.82 NOTUM (0.63) GAAMAPTKDM4EHSD17B10USP2
SCHEMBL7209195 0.82 ALOX15 (0.46) GAAMAPTALDH1A1MEN1THRB
SCHEMBL188448 0.81 MAPT (0.65) GAAMAPTALDH1A1MEN1THRB
SCHEMBL17264116 0.81 MAPT (0.69) GAAMAPTALDH1A1MEN1THRB
SCHEMBL3436583 0.80 HTR3E (0.57) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL24865510 0.80 ALDH1A1 (0.71) GAAMAPTALDH1A1MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968995-A1 METHODS FOR THE SYNTHESIS OF ARGININE-CONTAINING PEPTIDES F. Hoffmann-la Roche AG (CH) 2008-09-17 EP claimed
WO-2007077112-A1 METHODS FOR THE SYNTHESIS OF ARGININE-CONTAINING PEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 WO claimed
EP-2125862-A1 METHODS FOR THE SYNTHESIS OF CYCLIC PEPTIDES F. Hoffmann-Roche AG (CH) 2009-12-02 EP disclosed
EP-1968995-A1 METHODS FOR THE SYNTHESIS OF ARGININE-CONTAINING PEPTIDES F. Hoffmann-la Roche AG (CH) 2008-09-17 EP disclosed
WO-2008080845-A1 METHODS FOR THE SYNTHESIS OF CYCLIC PEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2007077112-A1 METHODS FOR THE SYNTHESIS OF ARGININE-CONTAINING PEPTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-12 WO disclosed
EP-1315750-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
EP-1272516-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-01-08 EP disclosed
WO-2002018437-A2 CYCLIC PEPTIDES HAVING MELANOCORTIN-4 RECEPTOR AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
WO-2001074844-A2 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2001-10-11 WO disclosed