SCHEMBL3728075

SCHEMBL3728075

NCCc1ccc2nc(Oc3ccc(C(N)C4CC4)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.35
ALOX5 P09917 1/20 0.35
TAAR5 O14804 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
SCN10A Q9Y5Y9 3/20 0.32

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
SCHEMBL3722365 0.82 ALOX5 (0.38) SCN9AALOX5SCN10A
SCHEMBL3728069 0.81 ALOX5 (0.39) SCN9AALOX5SCN10A
SCHEMBL3720365 0.81 MAPT (0.41) TAAR5TAAR1
SCHEMBL3717202 0.80 ACACB (0.38) TAAR5TAAR1
SCHEMBL3720089 0.80 TEC (0.37)
SCHEMBL3722576 0.78 TLR8 (0.40) TAAR5TAAR1
SCHEMBL3717827 0.77 ALDH1A1 (0.49) TAAR1
SCHEMBL3728071 0.77 MET (0.33) SCN9ATAAR5TAAR1
SCHEMBL3720268 0.77 KDM4E (0.36) SCN9AALOX5
SCHEMBL3717025 0.77 PARP10 (0.40)

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