SCHEMBL6761

SCHEMBL6761

COC(C)(CCNc1c(C)noc1-c1ccc(Br)cc1)c1ccccc1

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 0.35
MAPT P10636 6/20 0.34
KDM4E B2RXH2 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
TP53 P04637 4/20 0.33
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL7104 0.82 LPAR1 (0.34) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL1445 0.76 TSHR (0.44) LPAR1LPAR3TP53
SCHEMBL1166 0.74 LPAR1 (0.47) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL9213 0.73 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4348 0.72 IGF1R (0.43) LPAR1LPAR3MAPTKDM4EALDH1A1
SCHEMBL2761199 0.72 LPAR1 (0.55) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL6984 0.71 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL12132 0.71 HTR2C (0.36) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL12131 0.71 HTR2C (0.36) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL11123 0.71 LPAR1 (0.40) 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