SCHEMBL3724310

SCHEMBL3724310

CC(=O)NCCc1ccc2nc(Oc3ccc(Oc4ccccn4)cc3C)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN7A Q01118 6/20 0.49
KCNH2 Q12809 6/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
SCN9A Q15858 7/20 0.45
ACACB O00763 1/20 0.44
PKM P14618 1/20 0.39

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
SCHEMBL3717955 1.00 SCN7A (0.49) SCN7AKCNH2MTNR1AMTNR1BSCN5A
SCHEMBL3726805 0.86 MTNR1A (0.49) MTNR1AMTNR1BSCN9AACACBPKM
SCHEMBL3719881 0.84 MTNR1A (0.46) MTNR1AMTNR1BSCN9AACACB
SCHEMBL3722567 0.84 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3720552 0.84 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A
SCHEMBL3727352 0.84 MTNR1A (0.50) MTNR1AMTNR1BSCN9AACACB
SCHEMBL3718230 0.83 MTNR1A (0.48) MTNR1AMTNR1BSCN9AACACB
SCHEMBL3720862 0.83 ACACB (0.53) SCN7AKCNH2MTNR1AMTNR1BSCN5A
SCHEMBL3724603 0.82 MTNR1A (0.47) MTNR1AMTNR1BSCN9A
SCHEMBL3720434 0.82 SCN7A (0.46) SCN7AKCNH2SCN5ASCN2ASCN8A

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