SCHEMBL3706544

SCHEMBL3706544

Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OCCc1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 3/20 0.47
SCN9A Q15858 4/20 0.43
SCN5A Q14524 3/20 0.43
LPAR2 Q9HBW0 2/20 0.42
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NLRP3 Q96P20 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
P2RX7 Q99572 1/20 0.35

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
SCHEMBL2340427 0.89 LPAR1 (0.45) LPAR1LPAR3SCN9ASCN5ALPAR2
SCHEMBL2335998 0.89 LPAR1 (0.48) LPAR1LPAR3SCN9ASCN5ALPAR2
SCHEMBL2336975 0.87 LPAR1 (0.60) LPAR1LPAR3SCN9ASCN5ALPAR2
SCHEMBL3706823 0.85 LPAR1 (0.49) LPAR1LPAR3SCN9ASCN5ALPAR2
SCHEMBL7708 0.85 LPAR1 (0.54) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2337267 0.83 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2342087 0.83 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2335007 0.83 LPAR1 (0.46) LPAR1LPAR3SCN9ALPAR2ABCC3
SCHEMBL2332531 0.82 LPAR1 (0.52) LPAR1LPAR3SCN9ASCN5ALPAR2
SCHEMBL2341201 0.82 LPAR1 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed