SCHEMBL2650180

SCHEMBL2650180

O=C(O)CCNC(=O)c1ccc(C(NC(=O)Nc2nc3cc(Cl)cc(Cl)c3s2)c2ccc(C3=CCCCC3)cc2)cc1.O=C(O)CCNC(=O)c1ccc(C(NC(=O)Nc2nc3cc(OC(F)(F)F)ccc3s2)c2ccc(C3=CCCCC3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.49
GIPR P48546 12/20 0.49
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
KCNH2 Q12809 1/20 0.43
GLP1R P43220 1/20 0.42

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
SCHEMBL6753876 0.93 GCGR (0.55) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL6750336 0.89 GCGR (0.50) GCGRGIPRGLP1R
SCHEMBL2650979 0.88 GCGR (0.54) GCGRGIPR
SCHEMBL2650172 0.87 GCGR (0.58) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL6752776 0.84 GCGR (0.52) GCGRGIPRGLP1R
SCHEMBL6752813 0.84 GCGR (0.50) GCGRGIPRGLP1R
SCHEMBL2651706 0.83 GCGR (0.41) GCGRGIPRGLP1R
SCHEMBL2664968 0.82 GCGR (0.56) GCGRGIPR
SCHEMBL6754061 0.82 GCGR (0.52) GCGRGIPRGLP1R
SCHEMBL6748222 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