SCHEMBL2106

SCHEMBL2106

Cc1noc(-c2ccc(Br)cc2)c1NCCC(C)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LPAR1 Q92633 5/20 0.36
LPAR3 Q9UBY5 3/20 0.36
LPAR2 Q9HBW0 2/20 0.35
EDNRB P24530 2/20 0.33
EDNRA P25101 2/20 0.33
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB4 P21439 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
LMNA P02545 3/20 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 0.89 LPAR1 (0.47) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL1651 0.87 LPAR1 (0.39) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL6655 0.87 MEN1 (0.42) MAPTKDM4ELPAR1LPAR3EDNRB
SCHEMBL2195 0.83 LPAR1 (0.48) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL1579 0.81 LPAR1 (0.39) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2506 0.79 LPAR1 (0.38) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL1733 0.79 LPAR1 (0.37) MAPTLPAR1LPAR3ABCC3ABCC4
SCHEMBL1901 0.76 MAPT (0.40) MAPTKDM4ELPAR1LPAR3LPAR2
SCHEMBL7648 0.76 MEN1 (0.44) MAPTLPAR1LPAR3EDNRBEDNRA
SCHEMBL1406 0.74 LPAR1 (0.40) MAPTKDM4ELPAR1LPAR3LPAR2

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