SCHEMBL2653307

SCHEMBL2653307

CC(=O)CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
ALDH1A1 P00352 2/20 0.52
FFAR1 O14842 3/20 0.50
PDPK1 O15530 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
KIF11 P52732 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
FDFT1 P37268 2/20 0.47
MAPT P10636 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PSEN1 P49768 1/20 0.45

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
SCHEMBL266389 0.95 ALDH1A1 (0.57) MAOBALDH1A1FFAR1PDPK1PLAAT3
SCHEMBL2652762 0.90 MAOB (0.45) MAOBALDH1A1FFAR1PDPK1PLAAT3
SCHEMBL5182649 0.84 HDAC1 (0.55) MAOBALDH1A1FFAR1PDPK1PLAAT3
Benzylacetone SCHEMBL27750721 0.83 ALDH1A1 (0.72) ALDH1A1FFAR1PDPK1PLAAT3PLAAT5
SCHEMBL3634320 0.83 MAOB (0.59) MAOBFFAR1PDPK1PLAAT3PLAAT5
SCHEMBL2652603 0.82 RXRA (0.56) MAOBKIF11HRH3HDAC1HDAC8
SCHEMBL11638365 0.81 HDAC1 (0.56) ALDH1A1FFAR1PDPK1TAAR1MAPT
SCHEMBL12126626 0.80 ALDH1A1 (0.61) ALDH1A1FFAR1MAPTHDAC8RXRA
SCHEMBL7332151 0.80 FFAR1 (0.57) MAOBFFAR1PDPK1PLAAT3PLAAT5
SCHEMBL10912165 0.79 ALDH1A1 (0.77) ALDH1A1FFAR1MAPTHDAC1FFAR4

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-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO disclosed