SCHEMBL2653883

SCHEMBL2653883

Cc1cc(OCC(C)CCc2ccc(C(=O)NCCC(=O)O)s2)cc(C)c1-c1ccc(C#N)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
MCL1 Q07820 2/20 0.32
GCGR P47871 2/20 0.32
S1PR1 P21453 3/20 0.32
S1PR5 Q9H228 3/20 0.32
GCG P01275 1/20 0.32
FOLR1 P15328 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
FFAR1 O14842 1/20 0.31
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30
AKT3 Q9Y243 1/20 0.30

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
SCHEMBL2652978 0.88 ALDH1A1 (0.41) KMT2AMCL1GCGRS1PR1GCG
SCHEMBL2654214 0.87 GCGR (0.38) KMT2AMCL1GCGREGLN1FFAR1
SCHEMBL2653999 0.85 FFAR1 (0.41) KMT2AMCL1GCGRFOLR1FFAR1
SCHEMBL2654239 0.84 GCGR (0.41) KMT2AMCL1GCGRGCGFOLR1
SCHEMBL2653842 0.84 ALDH1A1 (0.38) KMT2AMCL1S1PR1GCGFOLR1
SCHEMBL2653953 0.83 GCGR (0.43) KMT2AMCL1GCGRGCGFFAR1
SCHEMBL2654772 0.83 GCGR (0.36) KMT2AMCL1GCGRGCGFOLR1
SCHEMBL2655038 0.82 GCGR (0.39) KMT2AMCL1GCGRGCGFFAR1
SCHEMBL2652676 0.81 GCGR (0.51) KMT2AMCL1GCGRFFAR1
SCHEMBL2654440 0.81 GCGR (0.47) MCL1GCGRGCG

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