SCHEMBL3719950

SCHEMBL3719950

CS(=O)(=O)NCCc1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
ACACB O00763 3/20 0.38
SCN9A Q15858 8/20 0.37
ACACA Q13085 2/20 0.37
SCN7A Q01118 2/20 0.35
KCNH2 Q12809 2/20 0.35
SCN5A Q14524 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MCHR1 Q99705 1/20 0.35
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL3726019 0.87 ALDH1A1 (0.45)
SCHEMBL3720107 0.85 MTNR1A (0.54) MTNR1AACACBACACASCN7A
SCHEMBL3720199 0.84 MTNR1A (0.52) MTNR1AACACBSCN9AACACAMCHR1
SCHEMBL3720089 0.81 TEC (0.37) ACACBACACASCN7AKCNH2
SCHEMBL3726999 0.81 GPR4 (0.39) ACACBACACASCN7AKCNH2KDM4C
SCHEMBL3719580 0.79 ACACB (0.38) ACACBACACASCN7AKCNH2MCHR1
SCHEMBL3720928 0.79 SCN7A (0.38) ACACBACACASCN7AKCNH2MCHR1
SCHEMBL3719947 0.78 ACACA (0.42) ACACBACACAMCHR1
SCHEMBL3717025 0.76 PARP10 (0.40) ACACBSCN7AKCNH2
SCHEMBL3727742 0.76 P2RX3 (0.40) ACACBSCN9AACACASCN7AKCNH2

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