SCHEMBL2663087

SCHEMBL2663087

CCC1CCC(NCc2ccc(C(=O)NCCC(=O)O)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
HDAC1 Q13547 2/20 0.43
CXCR4 P61073 1/20 0.43
GCGR P47871 7/20 0.43
HDAC3 O15379 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
KDM1A O60341 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
MAPK1 P28482 1/20 0.40
HPGD P15428 1/20 0.40
GIPR P48546 1/20 0.40

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
SCHEMBL2650729 0.86 GCGR (0.54) HRH3HDAC1CXCR4GCGRHDAC3
SCHEMBL2651717 0.81 GCGR (0.61) HRH3HDAC1GCGREPHX2NR1H4
SCHEMBL9072674 0.79 HDAC1 (0.57) HRH3HDAC1CXCR4GCGRCA1
SCHEMBL2663270 0.78 HRH3 (0.50) HRH3HDAC1CXCR4GCGRCA1
SCHEMBL2663474 0.76 GCGR (0.53) HRH3HDAC1CXCR4GCGREPHX2
SCHEMBL9072855 0.76 GCGR (0.49) HRH3GCGREPHX2NR1H4GIPR
SCHEMBL9072917 0.76 GCGR (0.56) HRH3HDAC1CXCR4GCGREPHX2
SCHEMBL2663237 0.75 HDAC1 (0.52) HRH3HDAC1CXCR4GCGRCA1
SCHEMBL9072937 0.73 CA1 (0.52) HRH3HDAC1GCGRHDAC3CA1
SCHEMBL2663268 0.73 HRH3 (0.48) HRH3HDAC1CXCR4GCGRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed