SCHEMBL1579

SCHEMBL1579

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.39
LPAR3 Q9UBY5 3/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.34
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB4 P21439 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
LPAR2 Q9HBW0 2/20 0.33
LMNA P02545 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
SCHEMBL1651 0.88 LPAR1 (0.39) LPAR1LPAR3BRD4CREBBPABCC3
SCHEMBL1733 0.87 LPAR1 (0.37) LPAR1LPAR3HDAC1HDAC6BRD4
SCHEMBL1166 0.87 LPAR1 (0.47) LPAR1LPAR3HDAC3HDAC1HDAC2
SCHEMBL2106 0.81 MAPT (0.39) LPAR1LPAR3BRD4ABCC3ABCC4
SCHEMBL2506 0.80 LPAR1 (0.38) LPAR1LPAR3HDAC3HDAC1HDAC2
SCHEMBL2195 0.79 LPAR1 (0.48) LPAR1LPAR3HDAC3HDAC1HDAC2
SCHEMBL6655 0.79 MEN1 (0.42) LPAR1LPAR3BRD4ABCC3ABCC4
SCHEMBL1578 0.76 ALDH1A1 (0.39) LPAR1LPAR3HDAC3HDAC1HDAC2
SCHEMBL7104 0.70 LPAR1 (0.34) LPAR1LPAR3CYP2C9LPAR2LMNA
SCHEMBL1445 0.69 TSHR (0.44) LPAR1LPAR3HDAC3BRD4

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