SCHEMBL3573226

SCHEMBL3573226

CNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
S1PR1 P21453 1/20 0.37
GRK5 P34947 1/20 0.37
CDK8 P49336 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SLC2A1 P11166 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL3574398 0.97 STAT3 (0.37) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3586134 0.92 SLC2A1 (0.36) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3570789 0.89 CNR1 (0.39) CNR1SLC2A1TRPV1LMNAHPGD
SCHEMBL3581186 0.89 CNR1 (0.39) CNR1SLC2A1TRPV1LMNAHPGD
SCHEMBL3570653 0.89 CNR1 (0.39) CNR1SLC2A1TRPV1LMNAHPGD
SCHEMBL3583456 0.88 CNR1 (0.38) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3582301 0.88 NAMPT (0.40) CNR1SLC2A1LMNAHPGDNAMPT
SCHEMBL3575614 0.87 CNR1 (0.37) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3583638 0.86 C5AR1 (0.41) MEN1KMT2A
SCHEMBL3576623 0.86 LMNA (0.41) CNR1S1PR1GRK5CDK8S1PR5

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 4 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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed