SCHEMBL2649191

SCHEMBL2649191

COc1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)C=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 8/20 0.65
GCGR P47871 6/20 0.61
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 2/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL2649190 1.00 ADCYAP1R1 (0.65) ADCYAP1R1GCGRKDM4EMAPTMEN1
SCHEMBL9071643 0.83 GCGR (0.63) ADCYAP1R1GCGR
SCHEMBL2649370 0.78 GCGR (0.61) ADCYAP1R1GCGRKDM4EMAPTMEN1
SCHEMBL2663729 0.77 ADCYAP1R1 (0.71) ADCYAP1R1GCGR
SCHEMBL9072061 0.76 GCGR (1.00) ADCYAP1R1GCGR
SCHEMBL28521566 0.74 GAA (0.75) ADCYAP1R1GCGRKDM4EMAPTMEN1
SCHEMBL11974463 0.74 GAA (0.68) GCGRKDM4EMAPTMEN1KMT2A
SCHEMBL7228192 0.74 GCGR (0.68) ADCYAP1R1GCGRMAPTMEN1KMT2A
SCHEMBL9072060 0.74 GCGR (0.60) ADCYAP1R1GCGRKDM4EMAPTMEN1
SCHEMBL2664303 0.73 GCGR (1.00) ADCYAP1R1GCGRKDM4EMAPTMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed