SCHEMBL3576227

SCHEMBL3576227

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C2(OC)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
C5AR1 P21730 4/20 0.36
LPAR1 Q92633 3/20 0.33
LPAR5 Q9H1C0 3/20 0.33
RCE1 Q9Y256 1/20 0.33
DRD2 P14416 1/20 0.33
LSS P48449 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
MBTPS1 Q14703 1/20 0.32
FPR3 P25089 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3568221 0.85 SLC2A1 (0.36) SMN1; SMN2CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL3571182 0.85 C5AR1 (0.41) ALDH1A1SMN1; SMN2C5AR1LPAR1LPAR5
SCHEMBL3578978 0.81 CNR1 (0.43) SMN1; SMN2C5AR1LPAR1LPAR5RCE1
SCHEMBL3583296 0.80 LPAR1 (0.52) C5AR1LPAR1LPAR5RCE1
SCHEMBL3589192 0.80 PPARA (0.39) ALDH1A1SMN1; SMN2C5AR1LPAR1LPAR5
SCHEMBL3583039 0.80 CNR1 (0.43) SMN1; SMN2C5AR1RCE1LSSCYP1A2
SCHEMBL3577052 0.79 C5AR1 (0.37) ALDH1A1SMN1; SMN2C5AR1LPAR1LPAR5
SCHEMBL3580876 0.78 LPAR1 (0.36) ALDH1A1SMN1; SMN2C5AR1LPAR1LPAR5
SCHEMBL3579938 0.74 MAPT (0.42) SMN1; SMN2LPAR1LPAR5RCE1MEN1
SCHEMBL3576432 0.73 C5AR1 (0.43) ALDH1A1C5AR1LPAR1LPAR5OPRM1

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