SCHEMBL3581289

SCHEMBL3581289

COC1(c2ccc(CN(CCc3cccc(OC(F)(F)F)c3)C(=O)c3cc(Cl)ccc3NCC#N)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
LPAR1 Q92633 4/20 0.36
LPAR5 Q9H1C0 2/20 0.36
P2RX1 P51575 1/20 0.34
HTR5A P47898 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ATM Q13315 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SCN9A Q15858 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
C5AR1 P21730 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
PPARG P37231 1/20 0.32
P2RY14 Q15391 1/20 0.32

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
SCHEMBL3573725 0.92 CNR1 (0.38) CNR1LPAR1LPAR5P2RX1HTR5A
SCHEMBL3577195 0.92 CNR1 (0.39) CNR1LPAR1LPAR5P2RX1HTR5A
SCHEMBL3583799 0.87 CNR1 (0.40) CNR1LPAR1LPAR5P2RX1KDM5A
SCHEMBL3581285 0.86 LPAR1 (0.36) CNR1LPAR1LPAR5P2RX1HTR5A
SCHEMBL3576631 0.86 CNR1 (0.38) CNR1LPAR1LPAR5P2RX1KDM5A
SCHEMBL3576382 0.85 STAT3 (0.38) CNR1LPAR1LPAR5P2RX1KDM5A
SCHEMBL3577894 0.83 TRPV1 (0.40) CNR1LPAR1LPAR5ATMLPAR2
SCHEMBL3576449 0.82 LPAR1 (0.39) LPAR1LPAR5ATMLPAR2TRPV1
SCHEMBL3581908 0.80 NLRP3 (0.41) LPAR1LPAR5LPAR2TRPV1C5AR1
SCHEMBL3583813 0.78 CNR1 (0.41) 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