SCHEMBL7210470

SCHEMBL7210470

Cc1cc(N2CCC(C(=O)O)CC2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.54
GAA P10253 1/20 0.52
RAD52 P43351 1/20 0.52
NOTUM Q6P988 9/20 0.51
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
IP6K1 Q92551 1/20 0.47
THRB P10828 1/20 0.46
PDK2 Q15119 1/20 0.45
POLB P06746 1/20 0.45
AKR1C3 P42330 1/20 0.45
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
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
SCHEMBL5800611 0.86 NOTUM (0.55) GAANOTUMKDM4EUSP2HPGD
SCHEMBL31381229 0.82 NOTUM (0.56) NOTUMKDM4EUSP2HPGDNPSR1
SCHEMBL3820949 0.82 NOTUM (0.56) NOTUMKDM4EUSP2HPGDNPSR1
SCHEMBL7209201 0.82 LGMN (0.51) LGMNGAANOTUMKDM4EUSP2
SCHEMBL6220205 0.81 GAA (0.58) LGMNGAARAD52KDM4EUSP2
SCHEMBL17264102 0.81 GAA (0.61) LGMNGAARAD52KDM4EHPGD
SCHEMBL21533508 0.81 NOTUM (0.65) GAANOTUMKDM4EUSP2HPGD
SCHEMBL29990255 0.80 GAA (0.59) LGMNGAARAD52KDM4EUSP2
SCHEMBL26706694 0.79 NOTUM (0.51) NOTUMKDM4EUSP2HPGDNPSR1
SCHEMBL11299225 0.79 GAA (0.59) LGMNGAARAD52KDM4EIP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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