SCHEMBL9072197

SCHEMBL9072197

COc1ccc(CCNCCOc2ccc(CNNC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.56
ADRB2 P07550 4/20 0.44
DRD2 P14416 3/20 0.43
DRD1 P21728 3/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL9072115 0.82 GCGR (0.83) GCGR
SCHEMBL2663872 0.79 GCGR (0.67) GCGR
SCHEMBL2664358 0.77 GCGR (0.69) GCGR
SCHEMBL9072112 0.76 GCGR (0.82) GCGR
SCHEMBL9072113 0.73 GCGR (0.88) GCGR
SCHEMBL2664374 0.72 GCGR (1.00) GCGR
SCHEMBL2663927 0.71 GCGR (0.86) GCGR
SCHEMBL9072098 0.70 ADCYAP1R1 (0.62) GCGRMAPT
SCHEMBL4277539 0.69 SMN1; SMN2 (0.64) GCGRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2663823 0.68 GCGR (0.54) GCGR

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