SCHEMBL3583296

SCHEMBL3583296

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.52
LPAR5 Q9H1C0 9/20 0.52
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
C5AR1 P21730 1/20 0.43
NPY5R Q15761 2/20 0.42
RCE1 Q9Y256 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL3589192 0.86 PPARA (0.39) LPAR1LPAR5C5AR1RCE1
SCHEMBL3584106 0.84 LPAR1 (0.59) LPAR1LPAR5LTA4HEPHX2C5AR1
SCHEMBL3580876 0.83 LPAR1 (0.36) LPAR1LPAR5EPHX2C5AR1RCE1
SCHEMBL3578978 0.83 CNR1 (0.43) LPAR1LPAR5EPHX2C5AR1RCE1
SCHEMBL3583039 0.82 CNR1 (0.43) C5AR1RCE1
SCHEMBL3577052 0.81 C5AR1 (0.37) LPAR1LPAR5C5AR1RCE1
SCHEMBL3576227 0.80 ALDH1A1 (0.37) LPAR1LPAR5C5AR1RCE1
SCHEMBL9960423 0.77 LPAR1 (0.55) LPAR1LPAR5LTA4HEPHX2C5AR1
SCHEMBL3579938 0.76 MAPT (0.42) LPAR1LPAR5EPHX2RCE1
SCHEMBL3581545 0.75 CNR1 (0.40) LPAR1LPAR5EPHX2

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