SCHEMBL3570653

SCHEMBL3570653

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.39
SLC2A1 P11166 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC1 Q13547 1/20 0.37
NAMPT P43490 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
CCR1 P32246 1/20 0.36

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
SCHEMBL3581186 0.93 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3583456 0.92 CNR1 (0.38) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3570789 0.92 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL1397590 0.91 HCRTR1 (0.40) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL1397656 0.91 CETP (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3582301 0.91 NAMPT (0.40) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3575233 0.90 SLC2A1 (0.42) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3586536 0.90 MCHR1 (0.37) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3575614 0.89 CNR1 (0.37) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3573226 0.89 CNR1 (0.37) CNR1SLC2A1LMNAHPGDMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed