SCHEMBL2662283

SCHEMBL2662283

COC(=O)CCNC(=O)c1ccc(CCC(C)COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
MAOB P27338 1/20 0.41
MAPK14 Q16539 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TP53 P04637 1/20 0.40
GCGR P47871 2/20 0.40
GIPR P48546 2/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL2657119 0.91 NR1H4 (0.47) MEN1KMT2AADRB2ADRB1CA12
SCHEMBL2654147 0.91 FFAR1 (0.48) MEN1KMT2AFFAR1FFAR4GCGR
SCHEMBL2654579 0.90 PPARD (0.43) MEN1KMT2AADRB2ADRB1SPHK2
SCHEMBL2653054 0.89 CA12 (0.42) MEN1KMT2AADRB2ADRB1CA12
SCHEMBL2655056 0.89 GCGR (0.47) MEN1KMT2AROCK2ROCK1GCGR
SCHEMBL2656241 0.89 PPARD (0.42) MEN1KMT2AROCK2ROCK1TRPV1
SCHEMBL2655101 0.88 ESRRG (0.49) MEN1KMT2AADRB2ADRB1CA12
SCHEMBL2653962 0.85 MEN1 (0.58) MEN1KMT2AROCK2ROCK1SPHK2
SCHEMBL2657509 0.85 ROCK2 (0.41) ROCK2ROCK1FFAR1TP53GCGR
SCHEMBL2657152 0.85 MEN1 (0.45) MEN1KMT2ASPHK2MAOBMAPK14

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