SCHEMBL3709683

SCHEMBL3709683

COC(=O)c1ccccc1-c1cccc(-c2onc(C)c2NC(=O)OCCc2ccccc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
SCN5A Q14524 2/20 0.42
LPAR1 Q92633 4/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR2 Q9HBW0 2/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
FTO Q9C0B1 1/20 0.37
TSHR P16473 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
USP30 Q70CQ3 1/20 0.36
SLC6A2 P23975 1/20 0.36
ACR P10323 1/20 0.36

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
SCHEMBL3711311 0.92 LPAR1 (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL2335633 0.92 LPAR1 (0.46) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3714396 0.88 SCN9A (0.44) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3711039 0.87 LPAR1 (0.49) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3704851 0.86 LPAR1 (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3710277 0.85 SCN9A (0.40) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3702771 0.85 SCN9A (0.41) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3711408 0.84 LPAR1 (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL2336119 0.84 LPAR1 (0.49) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3713322 0.84 LPAR1 (0.47) SCN9ASCN5ALPAR1LPAR3LPAR2

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