SCHEMBL9072805

SCHEMBL9072805

CC(C)(C)C1CCC(N(Cc2ccc(C(=O)N/C(N=N)=N/N)cc2)C(=O)Cc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.44
GIPR P48546 6/20 0.39
GCG P01275 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GLP1R P43220 3/20 0.38
ADCY6 O43306 1/20 0.37
ADCY3 O60266 1/20 0.37
ADCY9 O60503 1/20 0.37
ADCY5 O95622 1/20 0.37
ADCY8 P40145 1/20 0.37
ADCY7 P51828 1/20 0.37
ADCY2 Q08462 1/20 0.37
ADCY1 Q08828 1/20 0.37
ADCY4 Q8NFM4 1/20 0.37

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
SCHEMBL2663207 0.86 GCGR (0.46) GCGRGIPRGCGHDAC3HDAC8
SCHEMBL2663415 0.85 GCGR (0.42) GCGRGIPRGCGHDAC3HDAC8
SCHEMBL2663385 0.84 GCGR (0.41) GCGRGIPRHDAC3HDAC8HDAC6
SCHEMBL2663412 0.83 GCGR (0.49) GCGRGIPRHDAC3HDAC8HDAC6
SCHEMBL2663407 0.82 GCGR (0.48) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663154 0.82 GCGR (0.54) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL9072684 0.82 GCGR (0.46) GCGRGIPRHDAC3HDAC8HDAC6
SCHEMBL9072806 0.82 GCGR (0.48) GCGRGIPRHDAC3HDAC8HDAC6
SCHEMBL9072692 0.82 GCGR (0.43) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663373 0.81 GCGR (0.42) GCGRGIPRGCGGLP1R

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