SCHEMBL3714489

SCHEMBL3714489

CCOC(=O)Cc1cncc(-c2cccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
SCN9A Q15858 4/20 0.40
SCN5A Q14524 2/20 0.40
NLRP3 Q96P20 3/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
SLC26A6 Q9BXS9 1/20 0.34
TP53 P04637 1/20 0.34
MGLL Q99685 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
P2RX7 Q99572 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
SCHEMBL3707845 0.94 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3705514 0.92 LPAR1 (0.52) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3709587 0.91 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2338066 0.90 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3704851 0.87 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3706377 0.87 LPAR1 (0.39) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3717659 0.86 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3713550 0.86 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707600 0.85 LPAR1 (0.60) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707274 0.85 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A

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