SCHEMBL2652401

SCHEMBL2652401

COC(=O)CCNC(=O)c1ccc(CC(C)COc2ccc(-c3ccc(C(C)(C)C)cc3)c(C)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.35
POLQ O75417 1/20 0.33
ACKR3 P25106 1/20 0.33
EP300 Q09472 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
VDR P11473 1/20 0.33
PPARD Q03181 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GRIN2C Q14957 2/20 0.33
NPC1 O15118 1/20 0.33
ADCY6 O43306 2/20 0.32
ADCY3 O60266 2/20 0.32
ADCY9 O60503 2/20 0.32
ADCY5 O95622 2/20 0.32
ADCY8 P40145 2/20 0.32
ADCY7 P51828 2/20 0.32
ADCY2 Q08462 2/20 0.32

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
SCHEMBL2653071 0.93 GCGR (0.39) GCGRPPARDEPHX2
SCHEMBL2653286 0.93 GCGR (0.42) GCGRKMT2AADCY6ADCY3ADCY9
SCHEMBL2653233 0.90 GCGR (0.43) GCGRACKR3L3MBTL1VDRS1PR1
SCHEMBL2653247 0.86 HPGD (0.39) GCGRPOLQACKR3EP300L3MBTL1
SCHEMBL2652643 0.85 GCGR (0.46) GCGRPPARD
SCHEMBL2655511 0.85 HPGD (0.40) GCGRPOLQACKR3EP300L3MBTL1
SCHEMBL2654055 0.85 GCGR (0.43) GCGRKMT2AADCY6ADCY3ADCY9
SCHEMBL2652528 0.85 HPGD (0.42) GCGRPOLQACKR3EP300L3MBTL1
SCHEMBL2653672 0.83 GCGR (0.39) GCGRPPARDEPHX2
SCHEMBL2654374 0.83 GCGR (0.51) GCGRACKR3VDRKMT2AADCY6

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-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed