SCHEMBL3581285

SCHEMBL3581285

COC1(c2ccc(CN(CCc3cccc(OC(F)(F)F)c3)C(=O)c3cc(Cl)ccc3N(C)C#N)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.36
LPAR5 Q9H1C0 2/20 0.36
CNR1 P21554 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35
HTR5A P47898 1/20 0.34
ATM Q13315 1/20 0.34
C5AR1 P21730 2/20 0.33
P2RX1 P51575 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
LTC4S Q16873 1/20 0.32
SCN9A Q15858 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
SCHEMBL3581289 0.86 CNR1 (0.37) LPAR1LPAR5CNR1LPAR2HTR5A
SCHEMBL3576630 0.86 LPAR1 (0.37) LPAR1LPAR5CNR1LPAR2ATM
SCHEMBL3577195 0.85 CNR1 (0.39) LPAR1LPAR5CNR1LPAR2HTR5A
SCHEMBL3576381 0.85 STAT3 (0.38) LPAR1LPAR5CNR1LPAR2ATM
SCHEMBL3573725 0.84 CNR1 (0.38) LPAR1LPAR5CNR1LPAR2HTR5A
SCHEMBL3577892 0.83 SLC2A1 (0.40) LPAR1LPAR5CNR1LPAR2ATM
SCHEMBL27730491 0.82 LPAR1 (0.40) LPAR1LPAR5LPAR2ATMC5AR1
SCHEMBL3581905 0.80 NLRP3 (0.40) LPAR1LPAR5LPAR2C5AR1
SCHEMBL3574440 0.75 STAT3 (0.36) LPAR1LPAR5CNR1SLC6A9KCNH2
SCHEMBL3577794 0.75 LMNA (0.37) LPAR1LPAR5CNR1ATMC5AR1

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