SCHEMBL3577580

SCHEMBL3577580

CCNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C2CC2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
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
MPO P05164 1/20 0.35
OPRL1 P41146 2/20 0.35
CCR1 P32246 2/20 0.35
KCNH2 Q12809 1/20 0.35
CHIT1 Q13231 1/20 0.35
CHIA Q9BZP6 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

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
SCHEMBL3577493 0.90 LMNA (0.40) LMNAHPGDCNR1S1PR1GRK5
SCHEMBL3583457 0.87 LMNA (0.39) LMNAHPGDCNR1S1PR1GRK5
SCHEMBL3584132 0.87 LMNA (0.39) LMNAHPGDCNR1S1PR1GRK5
SCHEMBL3577957 0.86 LMNA (0.37) LMNAHPGDCNR1S1PR1GRK5
SCHEMBL3571600 0.85 LMNA (0.42) LMNAHPGDCNR1MPOMEN1
SCHEMBL3583512 0.84 LMNA (0.41) LMNAHPGDCNR1MPOMEN1
SCHEMBL9957248 0.83 KCNH2 (0.38) LMNAHPGDCNR1S1PR1GRK5
SCHEMBL3581190 0.83 TRPV1 (0.41) LMNAHPGDCNR1MPOMEN1
SCHEMBL3576623 0.82 LMNA (0.41) LMNAHPGDCNR1S1PR1GRK5
SCHEMBL3577795 0.81 LMNA (0.38) LMNAHPGDCNR1S1PR1GRK5

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