SCHEMBL2662997

SCHEMBL2662997

O=C(O)CCNC(=O)c1ccc(CN(CC2=CCCCC2)C(=O)Nc2ccc(O)c(O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.51
GIPR P48546 3/20 0.51
GLP1R P43220 2/20 0.51
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL4091217 0.73 SMN1; SMN2 (0.52) GCGRGIPRGLP1RSMN1; SMN2ALDH1A1
SCHEMBL2663548 0.73 GCGR (0.56) GCGRGIPRGLP1R
SCHEMBL4092102 0.73 CYP1A2 (0.47) GCGRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2663520 0.70 GCGR (0.81) GCGRGIPRGLP1R
SCHEMBL9072677 0.70 EGFR (0.62) GCGRGLP1RALDH1A1
SCHEMBL2651195 0.70 GCGR (0.75) GCGRGIPRGLP1R
SCHEMBL2665808 0.69 RAB9A (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1NFKB1
SCHEMBL2662978 0.69 GCGR (0.65) GCGRGIPRGLP1R
SCHEMBL9072717 0.69 GCGR (0.73) GCGRGIPRGLP1R
SCHEMBL2652053 0.69 GCGR (0.79) GCGRGIPRGLP1R

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