SCHEMBL2653101

SCHEMBL2653101

Cc1cc(OCCCCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.42
MCL1 Q07820 2/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FFAR1 O14842 1/20 0.37
FOLR1 P15328 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GIPR P48546 3/20 0.36
S1PR1 P21453 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GCG P01275 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL2653953 0.88 GCGR (0.43) GCGRMCL1FFAR1GIPRKMT2A
SCHEMBL2652221 0.88 GCGR (0.50) GCGRMCL1ALDH1A1LMNAPRNP
SCHEMBL2652620 0.87 GCGR (0.46) GCGRMCL1GCG
SCHEMBL2654422 0.87 GCGR (0.49) GCGRMCL1ALDH1A1LMNAPRNP
SCHEMBL2654118 0.86 FFAR4 (0.42) GCGRMCL1FFAR1GIPR
SCHEMBL2652586 0.86 GCGR (0.45) GCGRMCL1ALDH1A1LMNAPRNP
SCHEMBL2653891 0.86 GCGR (0.42) GCGRMCL1GIPRKMT2AGCG
SCHEMBL2654052 0.85 GCGR (0.51) GCGRMCL1ALDH1A1LMNAPRNP
SCHEMBL2652922 0.84 GCGR (0.46) GCGRMCL1GCG
SCHEMBL2652629 0.82 GCGR (0.51) GCGRMCL1FFAR1POLBGIPR

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 claimed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO claimed