SCHEMBL2665220

SCHEMBL2665220

O=C(/C=C(\C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(C2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.46
GIPR P48546 8/20 0.46
TAOK1 Q7L7X3 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
PRMT5 O14744 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
DRD2 P14416 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
SCHEMBL6915810 0.88 GCGR (0.47) GCGRGIPRTAOK1TAOK3NPC1
SCHEMBL6910175 0.88 GCGR (0.53) GCGRGIPRTAOK1TAOK3RAB9A
SCHEMBL2665138 0.88 GCGR (0.47) GCGRGIPRTAOK1TAOK3NPC1
SCHEMBL6910313 0.88 GCGR (0.53) GCGRGIPRTAOK1TAOK3RAB9A
SCHEMBL6910310 0.88 GCGR (0.53) GCGRGIPRTAOK1TAOK3RAB9A
SCHEMBL2665036 0.88 GCGR (0.53) GCGRGIPRTAOK1TAOK3RAB9A
SCHEMBL9071500 0.85 GCGR (0.47) GCGRGIPRTAOK1TAOK3NPC1
SCHEMBL2648378 0.85 CYP2D6 (0.44) GCGRGIPRTAOK1TAOK3NPC1
SCHEMBL2648373 0.85 CYP2D6 (0.44) GCGRGIPRTAOK1TAOK3NPC1
SCHEMBL2647075 0.85 CYP2D6 (0.44) GCGRGIPRTAOK1TAOK3NPC1

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-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed