SCHEMBL3702771

SCHEMBL3702771

COC(=O)c1cncc(-c2cccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
LPAR1 Q92633 4/20 0.40
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 2/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
SCN2A Q99250 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
CHRNA7 P36544 1/20 0.37
TP53 P04637 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
S1PR1 P21453 1/20 0.35
KMT2A Q03164 2/20 0.35
NR1H4 Q96RI1 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
SCHEMBL3714396 0.93 SCN9A (0.44) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3707274 0.93 LPAR1 (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3708503 0.87 LPAR1 (0.45) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3710277 0.87 SCN9A (0.40) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3711408 0.86 LPAR1 (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3705514 0.86 LPAR1 (0.52) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3712572 0.86 LPAR1 (0.49) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3709683 0.85 SCN9A (0.42) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL3714489 0.85 LPAR1 (0.43) SCN9ASCN5ALPAR1LPAR3LPAR2
SCHEMBL2336149 0.83 LPAR1 (0.49) 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