SCHEMBL2653548

SCHEMBL2653548

COc1cc(NC(=O)Cc2ccccc2C(F)(F)F)ccc1C=NNC(=O)c1ccc(O)c(C#N)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 16/20 0.75
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2653547 1.00 GCGR (0.75) GCGRSPHK2SPHK1ALDH1A1HPGD
SCHEMBL2646472 0.89 GCGR (0.68) GCGRSPHK2SPHK1
SCHEMBL2646473 0.89 GCGR (0.68) GCGRSPHK2SPHK1
SCHEMBL2647316 0.86 GCGR (1.00) GCGRALDH1A1HPGDNPC1RAB9A
SCHEMBL2647315 0.86 GCGR (1.00) GCGRALDH1A1HPGDNPC1RAB9A
SCHEMBL2646991 0.84 GCGR (0.69) GCGR
SCHEMBL2647970 0.82 GCGR (0.85) GCGRALDH1A1HPGDNPC1RAB9A
SCHEMBL2646532 0.82 GCGR (0.83) GCGRALDH1A1HPGDNPC1RAB9A
SCHEMBL2646533 0.82 GCGR (0.83) GCGRALDH1A1HPGDNPC1RAB9A
SCHEMBL2647968 0.82 GCGR (0.85) GCGRALDH1A1HPGDNPC1RAB9A

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
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