SCHEMBL9072137

SCHEMBL9072137

CC(O)C#Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.60
ADCYAP1R1 P41586 5/20 0.56
ESRRG P62508 2/20 0.49
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2664444 0.85 ADCYAP1R1 (0.61) GCGRADCYAP1R1ESRRGNPC1MAPT
SCHEMBL9072405 0.84 ADCYAP1R1 (0.61) GCGRADCYAP1R1ESRRG
SCHEMBL2664447 0.83 GCGR (0.55) GCGRADCYAP1R1ESRRG
SCHEMBL2664167 0.83 ADCYAP1R1 (0.60) GCGRADCYAP1R1ESRRG
SCHEMBL2664434 0.82 ADCYAP1R1 (0.59) GCGRADCYAP1R1ESRRG
SCHEMBL2664437 0.82 ADCYAP1R1 (0.55) GCGRADCYAP1R1ESRRGMAPT
SCHEMBL2664654 0.81 GCGR (0.60) GCGRADCYAP1R1ESRRGNPC1LMNA
SCHEMBL2664445 0.81 ADCYAP1R1 (0.61) GCGRADCYAP1R1ESRRGNPC1MAPT
SCHEMBL2664449 0.81 ADCYAP1R1 (0.58) GCGRADCYAP1R1ESRRG
SCHEMBL9072170 0.80 ADCYAP1R1 (0.63) GCGRADCYAP1R1

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed