SCHEMBL3586134

SCHEMBL3586134

CCNc1ncc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
CNR1 P21554 1/20 0.36
S1PR1 P21453 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
S1PR5 Q9H228 1/20 0.36
JAK3 P52333 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NAMPT P43490 1/20 0.35
F2R P25116 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3573226 0.92 CNR1 (0.37) SLC2A1CNR1S1PR1GRK5CDK8
SCHEMBL3574398 0.89 STAT3 (0.37) SLC2A1CNR1S1PR1GRK5CDK8
SCHEMBL3577493 0.87 LMNA (0.40) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3583457 0.84 LMNA (0.39) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3584132 0.84 LMNA (0.39) CNR1S1PR1GRK5CDK8S1PR5
SCHEMBL3570789 0.83 CNR1 (0.39) SLC2A1CNR1JAK3TRPV1NAMPT
SCHEMBL3586536 0.82 MCHR1 (0.37) SLC2A1CNR1S1PR1GRK5CDK8
SCHEMBL3576623 0.82 LMNA (0.41) SLC2A1CNR1S1PR1GRK5CDK8
SCHEMBL3576670 0.81 MCHR1 (0.38) SLC2A1CNR1S1PR1GRK5CDK8
SCHEMBL3570653 0.81 CNR1 (0.39) SLC2A1CNR1TRPV1NAMPTLMNA

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