SCHEMBL2652386

SCHEMBL2652386

COC(=O)CCNC(=O)c1ccc(CCCCOc2cc(C)c(-c3ccc(C(C)(C)C)cc3)c(C)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.42
HPGD P15428 1/20 0.41
ACKR3 P25106 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 5/20 0.35
MCL1 Q07820 1/20 0.34
VDR P11473 1/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ESRRG P62508 2/20 0.33
THRB P10828 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL2654307 0.99 HPGD (0.43) GCGRHPGDACKR3NPC1POLB
SCHEMBL2653812 0.97 GCGR (0.42) GCGRHPGDACKR3NPC1POLB
SCHEMBL2654238 0.95 GCGR (0.43) GCGRHPGDACKR3NPC1POLB
SCHEMBL2653083 0.92 HPGD (0.41) GCGRHPGDMEN1KMT2AMAPT
SCHEMBL2652221 0.92 GCGR (0.50) GCGRACKR3NPC1POLBCASP3
SCHEMBL2652772 0.92 HPGD (0.42) GCGRHPGDMEN1KMT2AMAPT
SCHEMBL2654422 0.91 GCGR (0.49) GCGRHPGDACKR3NPC1POLB
SCHEMBL2655511 0.90 HPGD (0.40) GCGRHPGDACKR3NPC1POLB
SCHEMBL2653931 0.90 HPGD (0.39) GCGRHPGDMEN1KMT2AMAPT
SCHEMBL2654052 0.90 GCGR (0.51) GCGRACKR3NPC1POLBCASP3

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