SCHEMBL2655868

SCHEMBL2655868

COC(=O)CCNC(=O)c1ccc(CCCC(C)(C)COc2cc(C)c(-c3ccc(C(F)(F)F)cc3)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.46
PPARA Q07869 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ESRRG P62508 2/20 0.38
PPARD Q03181 1/20 0.38
POLB P06746 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2655103 0.95 GCGR (0.47) GCGRPPARAMEN1KMT2AMAPT
SCHEMBL2654727 0.92 GCGR (0.55) GCGRPPARAMEN1KMT2APPARD
SCHEMBL2653412 0.91 PSEN1 (0.44) GCGRPPARAMAPTPPARDNPC1
SCHEMBL2661394 0.90 MEN1 (0.48) PPARAMEN1KMT2AMAPTROCK2
SCHEMBL2655159 0.89 GCGR (0.46) GCGRMAPTESRRGNPC1RAB9A
SCHEMBL2654812 0.88 GCGR (0.51) GCGRMEN1KMT2AMAPTESRRG
SCHEMBL2653584 0.87 GCGR (0.56) GCGRPPARAPPARD
SCHEMBL2652666 0.87 TRPV1 (0.46) GCGRTRPV1
SCHEMBL2653229 0.84 GCGR (0.47) GCGRPPARAMEN1KMT2AMAPT
SCHEMBL2655470 0.83 GCGR (0.49) GCGRPPARAPPARDSMN1; SMN2

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-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed