SCHEMBL2647101

SCHEMBL2647101

COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1C=NNC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 1.00
ADCYAP1R1 P41586 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MCHR1 Q99705 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
SCHEMBL2647100 1.00 GCGR (1.00) GCGRADCYAP1R1ALDH1A1HPGDMAPT
SCHEMBL7229343 0.90 GCGR (0.85) GCGRALDH1A1HPGDMAPTRAB9A
SCHEMBL7229348 0.90 GCGR (0.85) GCGRALDH1A1HPGDMAPTRAB9A
SCHEMBL7235356 0.89 GCGR (1.00) GCGRADCYAP1R1ALDH1A1HPGD
SCHEMBL9071618 0.89 GCGR (0.83) GCGRADCYAP1R1ALDH1A1HPGDMAPT
SCHEMBL7235361 0.89 GCGR (1.00) GCGRADCYAP1R1ALDH1A1HPGD
SCHEMBL2648607 0.87 GCGR (0.78) GCGRADCYAP1R1ALDH1A1HPGDMAPT
SCHEMBL2648611 0.87 GCGR (0.78) GCGRADCYAP1R1ALDH1A1HPGDMAPT
SCHEMBL2647316 0.86 GCGR (1.00) GCGRADCYAP1R1ALDH1A1HPGDNPC1
SCHEMBL2647315 0.86 GCGR (1.00) GCGRADCYAP1R1ALDH1A1HPGDNPC1

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