SCHEMBL3583456

SCHEMBL3583456

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
SLC2A1 P11166 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
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
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NAMPT P43490 1/20 0.37
CCR1 P32246 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NR3C2 P08235 1/20 0.35
C5AR1 P21730 1/20 0.35

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 0.94 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3570653 0.92 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3570789 0.92 CNR1 (0.39) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3582301 0.90 NAMPT (0.40) CNR1SLC2A1LMNAHPGDMEN1
SCHEMBL3581889 0.90 C5AR1 (0.40) CNR1MEN1KMT2AC5AR1
SCHEMBL3571746 0.90 SLC2A1 (0.41) CNR1SLC2A1MEN1KMT2A
SCHEMBL3582130 0.89 CNR1 (0.40) CNR1SLC2A1ATMTRPV1
SCHEMBL3574217 0.88 MCHR1 (0.37) SLC2A1LMNAMEN1KMT2AC5AR1
SCHEMBL3580332 0.88 C5AR1 (0.35) HPGDMEN1KMT2AHDAC1C5AR1
SCHEMBL3575614 0.88 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 2 patents. 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
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed