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SCHEMBL9072183

SCHEMBL9072183

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADCYAP1R1 P41586 9/20 0.55
▸ GCGR P47871 8/20 0.55
▸ SPHK2 Q9NRA0 1/20 0.48
▸ SPHK1 Q9NYA1 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL9072178 0.91 ADCYAP1R1 (0.54) ADCYAP1R1GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2664614 0.89 ADCYAP1R1 (0.62) ADCYAP1R1GCGRSPHK2SPHK1
SCHEMBL9072181 0.88 ADCYAP1R1 (0.55) ADCYAP1R1GCGRSPHK2SPHK1
SCHEMBL2664167 0.88 ADCYAP1R1 (0.60) ADCYAP1R1GCGR
SCHEMBL9072258 0.88 ADCYAP1R1 (0.54) ADCYAP1R1GCGR
SCHEMBL9072257 0.87 ADCYAP1R1 (0.57) ADCYAP1R1GCGRNPC1RAB9A
SCHEMBL2664610 0.86 NPC1 (0.56) ADCYAP1R1GCGRSPHK2NPC1RAB9A
SCHEMBL2664423 0.86 ADCYAP1R1 (0.52) ADCYAP1R1GCGRNPC1RAB9ASMN1; SMN2
SCHEMBL2664034 0.82 ADCYAP1R1 (0.54) ADCYAP1R1GCGRSPHK2SPHK1
SCHEMBL2664431 0.81 ADCYAP1R1 (0.54) 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