SCHEMBL3587845

SCHEMBL3587845

CC(C)(C)c1ccc(CN(CCc2cccc(OC(F)(F)F)c2)C(=O)c2cc(Cl)ccc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.42
LPAR5 Q9H1C0 2/20 0.42
CNR1 P21554 1/20 0.42
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
P2RX1 P51575 1/20 0.38
C5AR1 P21730 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
ATM Q13315 1/20 0.37
DDR1 Q08345 1/20 0.37
LPAR2 Q9HBW0 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL3584423 0.88 LPAR1 (0.43) LPAR1LPAR5C5AR1LPAR2SLC2A1
SCHEMBL3576810 0.88 LMNA (0.42) LPAR1LPAR5CNR1C5AR1ATM
SCHEMBL3583813 0.87 CNR1 (0.41) LPAR1LPAR5CNR1PPARGPPARD
SCHEMBL3581404 0.87 CNR1 (0.43) LPAR1LPAR5CNR1PPARGPPARD
SCHEMBL3583852 0.85 LPAR1 (0.41) LPAR1LPAR5CNR1PPARGPPARD
SCHEMBL12520790 0.85 LPAR1 (0.47) LPAR1LPAR5CNR1PPARGPPARD
SCHEMBL3583799 0.85 CNR1 (0.40) LPAR1LPAR5CNR1PPARGPPARD
SCHEMBL3574025 0.84 C5AR1 (0.46) LPAR1LPAR5CNR1C5AR1CA12
SCHEMBL1387045 0.83 LPAR1 (0.38) LPAR1LPAR5CNR1PPARGPPARD
SCHEMBL3576346 0.83 CNR1 (0.38) LPAR1LPAR5CNR1PPARGPPARD

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