SCHEMBL2506

SCHEMBL2506

Cc1noc(-c2ccc(Br)cc2)c1NCCC(C)c1c(F)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PTGFR P43088 5/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGES O14684 1/20 0.31
ROCK2 O75116 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
SCHEMBL2195 0.84 LPAR1 (0.48) LPAR1LPAR3LPAR2HDAC3HDAC1
SCHEMBL1651 0.80 LPAR1 (0.39) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1579 0.80 LPAR1 (0.39) LPAR1LPAR3LPAR2HDAC3HDAC1
SCHEMBL2106 0.79 MAPT (0.39) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1166 0.79 LPAR1 (0.47) LPAR1LPAR3LPAR2HDAC3HDAC1
SCHEMBL2162 0.77 P2RX7 (0.39) LPAR1LPAR3LPAR2P2RX7MAPT
SCHEMBL1733 0.76 LPAR1 (0.37) LPAR1LPAR3HDAC1HDAC8HDAC6
SCHEMBL6655 0.73 MEN1 (0.42) LPAR1LPAR3MAPTKDM4ESMN1; SMN2
SCHEMBL2194 0.71 LPAR1 (0.43) LPAR1LPAR3LPAR2P2RX7MAPT
SCHEMBL2296060 0.71 LPAR1 (0.62) 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