SCHEMBL3570220

SCHEMBL3570220

CNc1ccccc1C(=O)N(CCc1cccc(OC(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
NR3C1 P04150 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MAPK14 Q16539 1/20 0.39
PTGER2 P43116 1/20 0.38
VNN1 O95497 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC2A1 P11166 1/20 0.38
HTR5A P47898 1/20 0.38
HCRTR1 O43613 1/20 0.37

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
SCHEMBL3581450 0.91 MEP1B (0.41) LPAR1LPAR5PPARGPPARANR1H4
SCHEMBL3579507 0.87 HDAC8 (0.41) PPARGPPARANR1H4KMT2ASLC2A1
SCHEMBL3581545 0.84 CNR1 (0.40) TRPM8LPAR1LPAR5PPARGPPARD
SCHEMBL3586145 0.82 CNR1 (0.42) KDM5AKDM4CKDM5BTRPM8LPAR1
SCHEMBL3575602 0.82 LPAR1 (0.38) LPAR1LPAR5PPARGEPHX2NR1H4
SCHEMBL3583813 0.81 CNR1 (0.41) KDM5AKDM4CKDM5BLPAR1LPAR5
SCHEMBL3581404 0.81 CNR1 (0.43) KDM5AKDM4CKDM5BLPAR1LPAR5
SCHEMBL3575452 0.81 KMT2A (0.42) PPARGPPARANR1H4KMT2A
SCHEMBL3583799 0.81 CNR1 (0.40) KDM5AKDM4CKDM5BTRPM8LPAR1
SCHEMBL3569982 0.81 LPAR1 (0.41) LPAR1LPAR5PPARGNR1H4PTGER2

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