SCHEMBL3574585

SCHEMBL3574585

Nc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.41
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
CCR2 P41597 3/20 0.38
KCNH2 Q12809 1/20 0.37
CHIT1 Q13231 1/20 0.37
CHIA Q9BZP6 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR5 Q9H228 2/20 0.37
PIM1 P11309 1/20 0.37
PDGFRA P16234 1/20 0.37
CNR1 P21554 1/20 0.36
GRK5 P34947 1/20 0.36
CDK8 P49336 1/20 0.36
EPHX1 P07099 1/20 0.35
TACR1 P25103 1/20 0.34
SNCA P37840 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
SCHEMBL3576111 0.91 LMNA (0.41) LMNAHPGDGRM2GRM3CCR2
SCHEMBL3576637 0.87 LMNA (0.41) LMNAHPGDCCR2S1PR1S1PR5
SCHEMBL3583120 0.84 GRM2 (0.37) LMNAHPGDGRM2GRM3KCNH2
SCHEMBL9957466 0.82 RORC (0.35) LMNAHPGDGRM2GRM3KCNH2
SCHEMBL3577957 0.80 LMNA (0.37) LMNAHPGDS1PR1S1PR5CNR1
SCHEMBL3576810 0.79 LMNA (0.42) LMNAHPGDS1PR1S1PR5CNR1
SCHEMBL3577818 0.78 LMNA (0.42) LMNAHPGDKCNH2CHIT1CHIA
SCHEMBL3576623 0.78 LMNA (0.41) LMNAHPGDS1PR1S1PR5CNR1
SCHEMBL3573137 0.78 LMNA (0.35) LMNAHPGDS1PR1S1PR5PIM1
SCHEMBL3576153 0.77 LMNA (0.40) LMNAHPGDS1PR1S1PR5CNR1

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