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Sugi Predict / Compounds / SCHEMBL2652834

SCHEMBL2652834

SCHEMBL2652834

N#Cc1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)cc1Cl.O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(Br)c(Cl)c2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 20/20 0.62
▸ GIPR P48546 17/20 0.62
▸ GLP1R P43220 4/20 0.62

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
SCHEMBL7107328 0.97 GCGR (0.65) GCGRGIPRGLP1R
SCHEMBL2652838 0.95 GCGR (0.54) GCGRGIPRGLP1R
SCHEMBL7107337 0.91 GCGR (0.56) GCGRGIPRGLP1R
SCHEMBL2652851 0.90 GCGR (0.66) GCGRGIPRGLP1R
SCHEMBL6752435 0.90 GCGR (0.75) GCGRGIPRGLP1R
SCHEMBL2666000 0.88 GCGR (0.69) GCGRGIPRGLP1R
SCHEMBL2652053 0.88 GCGR (0.79) GCGRGIPRGLP1R
SCHEMBL2652842 0.86 GCGR (0.42) GCGRGIPRGLP1R
SCHEMBL7101500 0.85 GCGR (0.66) GCGRGIPRGLP1R
SCHEMBL7107340 0.82 GCGR (0.45) GCGRGIPRGLP1R

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-2002040444-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-05-23 — — WO claimed