SCHEMBL3721952

SCHEMBL3721952

CC(C)Nc1ccc(Oc2ccc3cc(C(C)N)ccc3n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.37
SCN10A Q9Y5Y9 4/20 0.36
MAP4K4 O95819 1/20 0.35
MET P08581 1/20 0.34
HCAR3 P49019 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
SCHEMBL3722382 0.83 ALOX5 (0.35) SCN9ASCN10AMAP4K4
SCHEMBL3722765 0.83 ACACB (0.45) SCN9A
SCHEMBL3720074 0.82 JAK2 (0.36) SCN9AMAP4K4HCAR3
SCHEMBL3721953 0.81 SCN9A (0.36) SCN9ASCN10AMAP4K4
SCHEMBL3720127 0.80 PDE4B (0.49) SCN9ASCN10AHCAR3
SCHEMBL3720129 0.79 ACACB (0.37) SCN9AHCAR3
SCHEMBL3722734 0.78 KCNH3 (0.38) SCN9AMAP4K4
SCHEMBL3720364 0.78 NCF1 (0.38) MAP4K4
SCHEMBL3804254 0.76 TLR8 (0.39) SCN9ASCN10AMAP4K4
SCHEMBL3720908 0.75 ACACB (0.43)

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed