SCHEMBL1733

SCHEMBL1733

Cc1noc(-c2ccc(Br)cc2)c1NCCC(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.37
LPAR3 Q9UBY5 1/20 0.37
MAPT P10636 1/20 0.37
BRD4 O60885 2/20 0.36
LMNA P02545 3/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
PTGFR P43088 1/20 0.34
SOS1 Q07889 2/20 0.34
PNMT P11086 1/20 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

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
SCHEMBL1579 0.87 LPAR1 (0.39) LPAR1LPAR3BRD4LMNAHDAC1
SCHEMBL1651 0.85 LPAR1 (0.39) LPAR1LPAR3MAPTBRD4LMNA
SCHEMBL1166 0.85 LPAR1 (0.47) LPAR1LPAR3MAPTLMNAHDAC1
SCHEMBL2106 0.79 MAPT (0.39) LPAR1LPAR3MAPTBRD4LMNA
SCHEMBL1732 0.78 LMNA (0.40) LPAR1MAPTBRD4LMNAHDAC1
SCHEMBL343498 0.77 LPAR1 (0.64) LPAR1LPAR3MAPTLMNAHDAC1
SCHEMBL6655 0.77 MEN1 (0.42) LPAR1LPAR3MAPTBRD4LMNA
SCHEMBL2506 0.76 LPAR1 (0.38) LPAR1LPAR3MAPTHDAC1HDAC8
SCHEMBL2195 0.75 LPAR1 (0.48) LPAR1LPAR3MAPTLMNAHDAC1
SCHEMBL7104 0.71 LPAR1 (0.34) LPAR1LPAR3MAPTLMNACYP2C9

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-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483253-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