SCHEMBL6984

SCHEMBL6984

Cc1noc(-c2ccc(Br)cc2)c1NCC(C)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.44
LPAR3 Q9UBY5 3/20 0.44
LPAR2 Q9HBW0 2/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
GBA1 P04062 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC6A4 P31645 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL6364 0.80 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL6983 0.78 LPAR1 (0.45) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL7648 0.76 MEN1 (0.44) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1166 0.76 LPAR1 (0.47) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL1445 0.73 TSHR (0.44) LPAR1LPAR3TP53HDAC3
SCHEMBL1406 0.73 LPAR1 (0.40) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4347 0.72 LPAR1 (0.46) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL1165 0.72 KMT2A (0.45) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4348 0.72 IGF1R (0.43) LPAR1LPAR3MAPTKDM4ESMN1; SMN2
SCHEMBL15897157 0.71 LPAR1 (0.45) LPAR1LPAR3LPAR2ABCC3ABCC4

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