SCHEMBL2653418

SCHEMBL2653418

CCc1ccc(-c2c(C)cc(OCC(C)CCc3ccc(C(=O)NCCC(=O)OC)cc3)cc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.41
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
BCL2 P10415 1/20 0.36

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
SCHEMBL2657098 0.92 GCGR (0.49) GCGRGCG
SCHEMBL2653577 0.91 GCGR (0.51) GCGRMAPTCA1CA2NPC1
SCHEMBL2655056 0.91 GCGR (0.47) GCGRMAPTGCGMEN1KMT2A
SCHEMBL2653571 0.86 ADRB2 (0.41) ADRB2ADRB1MAPTSMN1; SMN2CA12
SCHEMBL2655144 0.84 GCGR (0.49) GCGRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2653405 0.84 GCGR (0.53) GCGRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2655024 0.84 GCGR (0.51) GCGRMAPTNPC1RAB9AGCG
SCHEMBL2653970 0.84 GCGR (0.49) GCGRSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL2656001 0.83 GCGR (0.51) GCGRMAPTCA1CA2NPC1
SCHEMBL2655617 0.83 GCGR (0.61) GCGRNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed