SCHEMBL2648611

SCHEMBL2648611

COc1cc(NC(=O)CSc2ccc(C(F)(F)F)cc2)ccc1C=NNC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.78
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ADCYAP1R1 P41586 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL2648607 1.00 GCGR (0.78) GCGRMAPTRAB9ANPC1ADCYAP1R1
SCHEMBL2647415 0.90 GCGR (0.79) GCGRMAPTRAB9AALDH1A1HPGD
SCHEMBL2647412 0.90 GCGR (0.79) GCGRMAPTRAB9AALDH1A1HPGD
SCHEMBL2655444 0.89 GCGR (0.83) GCGRMAPTRAB9AADCYAP1R1ALDH1A1
SCHEMBL2655438 0.89 GCGR (0.83) GCGRMAPTRAB9AADCYAP1R1ALDH1A1
SCHEMBL2647101 0.87 GCGR (1.00) GCGRMAPTRAB9ANPC1ADCYAP1R1
SCHEMBL2647100 0.87 GCGR (1.00) GCGRMAPTRAB9ANPC1ADCYAP1R1
SCHEMBL2647316 0.84 GCGR (1.00) GCGRRAB9ANPC1ADCYAP1R1ALDH1A1
SCHEMBL2647315 0.84 GCGR (1.00) GCGRRAB9ANPC1ADCYAP1R1ALDH1A1
SCHEMBL2653548 0.81 GCGR (0.75) GCGRRAB9ANPC1ALDH1A1HPGD

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 6 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 claimed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP claimed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO claimed
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
EP-1140823-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2001-10-10 EP disclosed
WO-2000039088-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-07-06 WO disclosed