SCHEMBL2663268

SCHEMBL2663268

CC(C)S(=O)(=O)N1CCC(NCc2ccc(C(=O)NCCC(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
ADRB3 P13945 1/20 0.46
FABP6 P51161 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GCGR P47871 2/20 0.43
HDAC1 Q13547 1/20 0.42
LMNA P02545 1/20 0.42
CXCR4 P61073 1/20 0.42
TGM2 P21980 5/20 0.41
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
EBP Q15125 1/20 0.41
DHCR7 Q9UBM7 1/20 0.41
SMYD3 Q9H7B4 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
OPRK1 P41145 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
SCHEMBL2651717 0.77 GCGR (0.61) HRH3GCGRHDAC1EPHX2
SCHEMBL9072674 0.77 HDAC1 (0.57) HRH3CA1CA2GCGRHDAC1
SCHEMBL2663270 0.76 HRH3 (0.50) HRH3CA1CA2GCGRHDAC1
SCHEMBL2650729 0.75 GCGR (0.54) HRH3GCGRHDAC1LMNACXCR4
SCHEMBL2663237 0.73 HDAC1 (0.52) HRH3CA1CA2GCGRHDAC1
SCHEMBL2663087 0.73 HRH3 (0.47) HRH3CA1CA2GCGRHDAC1
SCHEMBL2663474 0.72 GCGR (0.53) HRH3GCGRHDAC1CXCR4EPHX2
SCHEMBL12301977 0.72 LMNA (0.70) LMNAEPHX2
SCHEMBL9072917 0.72 GCGR (0.56) HRH3GCGRHDAC1LMNACXCR4
SCHEMBL9072855 0.70 GCGR (0.49) HRH3GCGREPHX2KDM4ECHRM2

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