SCHEMBL2663205

SCHEMBL2663205

O=C(O)CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(O)c(O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.57
GLP1R P43220 1/20 0.57
ERCC1 P07992 2/20 0.47
ERCC4 Q92889 2/20 0.47
EPHX2 P34913 2/20 0.47
TPSAB1 Q15661 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
NME4 O00746 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
ADORA2A P29274 1/20 0.43
AVPR2 P30518 1/20 0.43
AGTR1 P30556 1/20 0.43
SLC6A4 P31645 1/20 0.43
AVPR1A P37288 1/20 0.43
HTR3A P46098 1/20 0.43
GCDH Q92947 1/20 0.43
SLC29A1 Q99808 1/20 0.43

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
SCHEMBL2663152 0.84 GCGR (0.58) GCGRGLP1REPHX2TPSAB1
SCHEMBL4095979 0.83 HDAC1 (0.53) GCGRGLP1RMEN1KMT2ATDP1
SCHEMBL2662956 0.78 GCGR (0.61) GCGRGLP1REPHX2
SCHEMBL2663009 0.77 GCGR (0.79) GCGRGLP1REPHX2TPSAB1GAA
SCHEMBL3187483 0.72 SIRT5 (0.58) ERCC1ERCC4GAANME4ADORA3
SCHEMBL4096606 0.72 GCGR (0.45) GCGRGLP1REPHX2
SCHEMBL2663137 0.72 ACHE (0.54) MEN1KMT2ACA1CA2CA9
SCHEMBL2663201 0.72 GCGR (0.53) GCGRGLP1REPHX2KMT2AGCG
SCHEMBL4092836 0.71 GCGR (0.62) GCGRGLP1R
SCHEMBL2663011 0.71 CXCR3 (0.53) GCGRGLP1RKMT2A

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-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed