SCHEMBL3719633

SCHEMBL3719633

CC(=O)NCCc1ccc2nc(Oc3ccc(OC(C)C)cn3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.53
ACACA Q13085 4/20 0.53
MTNR1A P48039 2/20 0.52
MTNR1B P49286 1/20 0.52
SCN9A Q15858 4/20 0.47

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
SCHEMBL3727055 0.90 ACACB (0.56) ACACBACACAMTNR1AMTNR1BSCN9A
SCHEMBL3717125 0.85 MTNR1A (0.64) ACACBMTNR1AMTNR1BSCN9A
SCHEMBL3726989 0.85 MTNR1A (0.50) ACACBACACAMTNR1AMTNR1BSCN9A
SCHEMBL3724129 0.85 MTNR1A (0.53) ACACBACACAMTNR1AMTNR1BSCN9A
SCHEMBL3728649 0.85 MTNR1A (0.55) ACACBMTNR1AMTNR1B
SCHEMBL3721156 0.83 MTNR1A (0.55) ACACBMTNR1AMTNR1BSCN9A
SCHEMBL3720615 0.83 MTNR1A (0.53) ACACBACACAMTNR1AMTNR1BSCN9A
SCHEMBL3727352 0.83 MTNR1A (0.50) ACACBACACAMTNR1AMTNR1BSCN9A
SCHEMBL3722768 0.83 MTNR1A (0.50) ACACBACACAMTNR1AMTNR1BSCN9A
SCHEMBL3723798 0.82 MTNR1A (0.48) ACACBACACAMTNR1AMTNR1BSCN9A

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