SCHEMBL2653014

SCHEMBL2653014

COC(=O)CCNC(=O)c1ccc(CC(C)COc2cc(C)c(I)c(C)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
HPGD P15428 2/20 0.35
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.34
NAMPT P43490 1/20 0.34
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
GPR88 Q9GZN0 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
RAB9A P51151 1/20 0.32
EPHX2 P34913 2/20 0.32
GAA P10253 1/20 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
SCHEMBL2654006 0.86 GCGR (0.35) SMN1; SMN2MAPTS1PR1S1PR3HPGD
SCHEMBL9072476 0.86 SMN1; SMN2 (0.39) SMN1; SMN2MAPTHPGDLMNANAMPT
SCHEMBL2653233 0.85 GCGR (0.43) SMN1; SMN2MAPTS1PR1S1PR3MCL1
SCHEMBL2653672 0.84 GCGR (0.39) SMN1; SMN2MAPTMCL1LMNAEPHX2
SCHEMBL2653090 0.84 HDAC3 (0.38) EPHX2
SCHEMBL2653792 0.83 HPGD (0.46) SMN1; SMN2MAPTHPGDMCL1LMNA
SCHEMBL2654229 0.82 HPGD (0.48) SMN1; SMN2MAPTHPGDMCL1LMNA
SCHEMBL2654035 0.82 HPGD (0.38) SMN1; SMN2MAPTS1PR1S1PR3HPGD
SCHEMBL2652401 0.82 GCGR (0.35) S1PR1S1PR3EPHX2
SCHEMBL2653837 0.81 HPGD (0.40) SMN1; SMN2MAPTHPGDLMNANAMPT

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