SCHEMBL9072139

SCHEMBL9072139

O=C(N/N=C/c1ccc(C#CCc2ccccc2)cc1)c1ccc(O)c(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 7/20 0.70
GCGR P47871 11/20 0.55
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL2664614 0.90 ADCYAP1R1 (0.62) ADCYAP1R1GCGRSPHK2SPHK1MEN1
SCHEMBL2664378 0.89 ADCYAP1R1 (0.65) ADCYAP1R1GCGRSPHK2SPHK1MEN1
SCHEMBL2664167 0.87 ADCYAP1R1 (0.60) ADCYAP1R1GCGRMEN1KMT2A
SCHEMBL2664440 0.87 ADCYAP1R1 (0.69) ADCYAP1R1GCGRSPHK2SPHK1MEN1
SCHEMBL2664434 0.86 ADCYAP1R1 (0.59) ADCYAP1R1GCGR
SCHEMBL9072136 0.86 ADCYAP1R1 (0.59) ADCYAP1R1GCGRMAPT
SCHEMBL2664449 0.85 ADCYAP1R1 (0.58) ADCYAP1R1GCGR
SCHEMBL9072405 0.84 ADCYAP1R1 (0.61) ADCYAP1R1GCGR
SCHEMBL2664444 0.84 ADCYAP1R1 (0.61) ADCYAP1R1GCGRMAPTRAB9AKMT2A
SCHEMBL9072164 0.83 ADCYAP1R1 (0.56) ADCYAP1R1GCGR

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