SCHEMBL2195

SCHEMBL2195

Cc1noc(-c2ccc(Br)cc2)c1NCCC(C)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.48
LPAR3 Q9UBY5 4/20 0.48
LPAR2 Q9HBW0 2/20 0.48
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
EDNRA P25101 3/20 0.33
EDNRB P24530 2/20 0.33
ABCC3 O15438 1/20 0.33
ABCC4 O15439 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
ABCB4 P21439 1/20 0.33
ABCC2 Q92887 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL1166 0.84 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2506 0.84 LPAR1 (0.38) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2106 0.83 MAPT (0.39) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1651 0.81 LPAR1 (0.39) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1579 0.79 LPAR1 (0.39) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL6655 0.77 MEN1 (0.42) LPAR1LPAR3MAPTKDM4EEDNRA
SCHEMBL2194 0.76 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2289326 0.75 LPAR1 (0.76) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL343414 0.75 LPAR1 (0.76) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2290240 0.75 LPAR1 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed