SCHEMBL5839

SCHEMBL5839

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)N(C)CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.48
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 2/20 0.45
NPY5R Q15761 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2C9 P11712 1/20 0.42
ABCB4 P21439 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLCO1B3 Q9NPD5 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
ROCK2 O75116 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
SCHEMBL7332 0.84 LPAR1 (0.61) LPAR1LPAR3LPAR2NPY5RMAPT
SCHEMBL6220 0.83 RAB9A (0.50) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL6130 0.80 LPAR1 (0.53) LPAR1LPAR3LPAR2NPY5RMAPT
SCHEMBL7708 0.80 LPAR1 (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL7061 0.78 MAPT (0.53) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL18597735 0.78 LPAR1 (0.57) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL6382 0.78 LPAR1 (0.57) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL6003 0.78 LPAR1 (0.54) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL343051 0.78 LPAR1 (0.56) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL6434 0.77 LPAR1 (0.49) LPAR1LPAR3LPAR2MAPTKDM4E

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
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed