SCHEMBL2663575

SCHEMBL2663575

CC(C)Oc1ccc(C(=O)N(Cc2ccc(C(=O)N/C(N=N)=N/N)cc2)C2CCC(C(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
GCGR P47871 16/20 0.43
GIPR P48546 6/20 0.42
GLP1R P43220 3/20 0.42
ADCY6 O43306 1/20 0.42
ADCY3 O60266 1/20 0.42
ADCY9 O60503 1/20 0.42
ADCY5 O95622 1/20 0.42
ADCY8 P40145 1/20 0.42
ADCY7 P51828 1/20 0.42
ADCY2 Q08462 1/20 0.42
ADCY1 Q08828 1/20 0.42
ADCY4 Q8NFM4 1/20 0.42
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL9072676 0.89 HDAC8 (0.48) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL2663335 0.86 GCGR (0.42) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL2663388 0.86 HDAC3 (0.48) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL2663434 0.83 HDAC8 (0.46) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL9072692 0.82 GCGR (0.43) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663413 0.82 GCGR (0.47) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL2663411 0.81 GCGR (0.46) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL2663154 0.81 GCGR (0.54) GCGRGIPRGLP1RADCY6ADCY3
SCHEMBL2663353 0.80 GCGR (0.44) HDAC3HDAC8HDAC6GCGRGIPR
SCHEMBL2663563 0.80 GCGR (0.64) GAAGCGRGIPRGLP1RADCY6

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