SCHEMBL9072102

SCHEMBL9072102

COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(-c2ccccc2)c1OCCN1CCC(Cc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.62
ADCYAP1R1 P41586 8/20 0.61
ACHE P22303 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ASF1A Q9Y294 1/20 0.46

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
SCHEMBL2664214 0.86 GCGR (0.63) GCGRADCYAP1R1KMT2AKDM4EALDH1A1
SCHEMBL2663663 0.85 GCGR (0.62) GCGRADCYAP1R1KMT2AKDM4EALDH1A1
SCHEMBL9072191 0.85 GCGR (0.85) GCGRADCYAP1R1MEN1KMT2AALDH1A1
SCHEMBL2663670 0.85 GCGR (0.61) GCGRADCYAP1R1MEN1KMT2AKDM4E
SCHEMBL2663669 0.84 GCGR (0.77) GCGRADCYAP1R1MEN1KMT2AALDH1A1
SCHEMBL2664215 0.84 GCGR (0.61) GCGRADCYAP1R1MEN1KMT2AALDH1A1
SCHEMBL9072025 0.83 GCGR (0.71) GCGRADCYAP1R1ACHEMEN1KMT2A
SCHEMBL9072111 0.80 GCGR (0.67) GCGRMEN1KMT2AKDM4EALDH1A1
SCHEMBL2664213 0.79 ADCYAP1R1 (0.64) GCGRADCYAP1R1ALDH1A1
SCHEMBL2664209 0.78 ADCYAP1R1 (0.63) GCGRADCYAP1R1ALDH1A1

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