SCHEMBL2646532

SCHEMBL2646532

COc1cc(NC(=O)Cc2ccc(F)c(F)c2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.83
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL2646533 1.00 GCGR (0.83) GCGRMAPTALDH1A1HPGDRAB9A
SCHEMBL2646445 0.91 GCGR (1.00) GCGRMAPTALDH1A1RAB9AKDM4E
SCHEMBL2646449 0.91 GCGR (1.00) GCGRMAPTALDH1A1RAB9AKDM4E
SCHEMBL2647970 0.89 GCGR (0.85) GCGRMAPTALDH1A1HPGDRAB9A
SCHEMBL2647968 0.89 GCGR (0.85) GCGRMAPTALDH1A1HPGDRAB9A
SCHEMBL9071651 0.88 GCGR (0.64) GCGRMAPTALDH1A1HPGDRAB9A
SCHEMBL7228347 0.88 GCGR (0.69) GCGRMAPTALDH1A1RAB9AKDM4E
SCHEMBL7228351 0.88 GCGR (0.69) GCGRMAPTALDH1A1RAB9AKDM4E
SCHEMBL2647316 0.86 GCGR (1.00) GCGRALDH1A1HPGDRAB9ANPC1
SCHEMBL2647315 0.86 GCGR (1.00) GCGRALDH1A1HPGDRAB9ANPC1

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 4 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
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