SCHEMBL2664437

SCHEMBL2664437

CCN(CC)CC#Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 5/20 0.55
GCGR P47871 11/20 0.54
ESRRG P62508 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL2664167 0.86 ADCYAP1R1 (0.60) ADCYAP1R1GCGRESRRGKMT2AMEN1
SCHEMBL2664434 0.85 ADCYAP1R1 (0.59) ADCYAP1R1GCGRESRRG
SCHEMBL2664449 0.84 ADCYAP1R1 (0.58) ADCYAP1R1GCGRESRRG
SCHEMBL2664447 0.83 GCGR (0.55) ADCYAP1R1GCGRESRRG
SCHEMBL2664444 0.82 ADCYAP1R1 (0.61) ADCYAP1R1GCGRESRRGKDM4EALDH1A1
SCHEMBL9072136 0.82 ADCYAP1R1 (0.59) ADCYAP1R1GCGRESRRGMAPT
SCHEMBL9072139 0.82 ADCYAP1R1 (0.70) ADCYAP1R1GCGRMAPTKMT2AMEN1
SCHEMBL9072137 0.82 GCGR (0.60) ADCYAP1R1GCGRESRRGMAPT
SCHEMBL2664046 0.81 ADCYAP1R1 (0.55) ADCYAP1R1GCGRESRRGKDM4EALDH1A1
SCHEMBL9072405 0.80 ADCYAP1R1 (0.61) ADCYAP1R1GCGRESRRG

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