SCHEMBL2653792

SCHEMBL2653792

COC(=O)CCNC(=O)c1ccc(CCCOc2cc(C)c(I)c(C)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
MCL1 Q07820 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
NAMPT P43490 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
USP2 O75604 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.36
GAA P10253 1/20 0.36
FOLR1 P15328 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL2654229 0.97 HPGD (0.48) HPGDMCL1SMN1; SMN2MAPTLMNA
SCHEMBL9072476 0.88 SMN1; SMN2 (0.39) HPGDSMN1; SMN2MAPTLMNANAMPT
SCHEMBL2653812 0.84 GCGR (0.42) HPGDMCL1MAPTNPC1RAB9A
SCHEMBL2653931 0.83 HPGD (0.39) HPGDMCL1SMN1; SMN2MAPTLMNA
SCHEMBL2653014 0.83 SMN1; SMN2 (0.36) HPGDMCL1SMN1; SMN2MAPTLMNA
SCHEMBL2652386 0.81 GCGR (0.42) HPGDMCL1MAPTNPC1RAB9A
SCHEMBL2653247 0.81 HPGD (0.39) HPGDMCL1MAPTNPC1RAB9A
SCHEMBL2654307 0.81 HPGD (0.43) HPGDMCL1SMN1; SMN2MAPTNPC1
SCHEMBL2653083 0.81 HPGD (0.41) HPGDMCL1SMN1; SMN2MAPTLMNA
SCHEMBL2652772 0.80 HPGD (0.42) HPGDMCL1SMN1; SMN2MAPTLMNA

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