SCHEMBL2664458

SCHEMBL2664458

O=C(N/N=C/c1cccc(/C=C/CO)c1)c1ccc(O)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.58
ADCYAP1R1 P41586 8/20 0.55
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
DNM1 Q05193 1/20 0.48

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
SCHEMBL2664333 0.91 GCGR (0.56) GCGRADCYAP1R1NPC1RAB9ASMN1; SMN2
SCHEMBL9072264 0.90 ADCYAP1R1 (0.55) GCGRADCYAP1R1NPC1RAB9ASMN1; SMN2
SCHEMBL2664196 0.90 ADCYAP1R1 (0.61) GCGRADCYAP1R1DNM1
SCHEMBL2664199 0.87 ADCYAP1R1 (0.62) GCGRADCYAP1R1SPHK2SPHK1
SCHEMBL2664364 0.86 ADCYAP1R1 (0.60) GCGRADCYAP1R1NPC1RAB9ASPHK2
SCHEMBL2664459 0.86 ADCYAP1R1 (0.55) GCGRADCYAP1R1SPHK2SPHK1
SCHEMBL2664365 0.85 NPC1 (0.59) GCGRADCYAP1R1NPC1RAB9ASMN1; SMN2
SCHEMBL2664426 0.85 ADCYAP1R1 (0.56) GCGRADCYAP1R1NPC1RAB9ASMN1; SMN2
SCHEMBL2664192 0.85 ADCYAP1R1 (0.64) GCGRADCYAP1R1NPC1RAB9ASPHK2
SCHEMBL2664454 0.85 ADCYAP1R1 (0.52) GCGRADCYAP1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed