SCHEMBL3722365

SCHEMBL3722365

NCCc1ccc2nc(Oc3ccc(C(NC(=O)O)C4CC4)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
SCN9A Q15858 12/20 0.38
PDE2A O00408 7/20 0.37
SCN10A Q9Y5Y9 2/20 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
SCHEMBL3721630 0.87 MTNR1A (0.47) ALOX5SCN9APDE2A
SCHEMBL3722359 0.83 ALOX5 (0.42) ALOX5SCN9APDE2ASCN10A
SCHEMBL3728075 0.82 SCN9A (0.35) ALOX5SCN9ASCN10A
SCHEMBL3718577 0.82 PDE4B (0.48) ALOX5SCN9APDE2A
SCHEMBL3721626 0.80 ACACB (0.44)
SCHEMBL3720892 0.77 AKR1C3 (0.46) SCN9ASCN10A
SCHEMBL3726204 0.77 LOXL2 (0.49) SCN9A
SCHEMBL3722364 0.75 LPAR1 (0.35) SCN9A
SCHEMBL3720365 0.74 MAPT (0.41)
SCHEMBL3717202 0.74 ACACB (0.38)

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