SCHEMBL3586145

SCHEMBL3586145

CNc1ccc(Cl)cc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
LPAR1 Q92633 3/20 0.40
LPAR5 Q9H1C0 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
P2RX1 P51575 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
ATM Q13315 1/20 0.37
SLC2A1 P11166 2/20 0.37
C5AR1 P21730 1/20 0.36
CCR9 P51686 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
P2RY14 Q15391 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
LPAR2 Q9HBW0 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
SCHEMBL3576429 0.93 LPAR1 (0.43) CNR1LPAR1LPAR5SLC2A1C5AR1
SCHEMBL3579684 0.91 CNR1 (0.40) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3577812 0.89 LPAR1 (0.43) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3576340 0.89 CNR1 (0.42) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3586185 0.88 LMNA (0.43) CNR1LPAR1LPAR5TRPV1ATM
SCHEMBL3583320 0.87 CNR1 (0.41) CNR1LPAR1LPAR5TRPV1P2RX1
SCHEMBL3571491 0.87 C5AR1 (0.42) LPAR1LPAR5C5AR1LPAR2
SCHEMBL3575570 0.87 TRPV1 (0.42) CNR1LPAR1LPAR5TRPV1ATM
SCHEMBL3582130 0.86 CNR1 (0.40) CNR1LPAR1LPAR5TRPV1KDM5A
SCHEMBL3583070 0.86 SCN9A (0.40) CNR1LPAR1LPAR5P2RX1KDM5A

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