SCHEMBL3721156

SCHEMBL3721156

CC(=O)NCCc1ccc2nc(Oc3ccc(O)nc3)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.55
MTNR1B P49286 3/20 0.55
SCN9A Q15858 6/20 0.47
ACACB O00763 5/20 0.45
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
F13A1 P00488 1/20 0.40
SCN10A Q9Y5Y9 2/20 0.40

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
SCHEMBL3717125 0.90 MTNR1A (0.64) MTNR1AMTNR1BSCN9AACACBSMN1; SMN2
SCHEMBL3722768 0.85 MTNR1A (0.50) MTNR1AMTNR1BSCN9AACACBSMN1; SMN2
SCHEMBL3717149 0.84 MTNR1A (0.58) MTNR1AMTNR1BSCN9AACACBKDM4E
SCHEMBL3727674 0.84 MTNR1A (0.58) MTNR1AMTNR1BSCN9AACACBKDM4E
SCHEMBL3724327 0.84 MTNR1A (0.58) MTNR1AMTNR1BSCN9AACACBKDM4E
SCHEMBL3724136 0.83 ACACB (0.57) MTNR1AMTNR1BSCN9AACACBKDM4E
SCHEMBL3720171 0.83 MTNR1A (0.57) MTNR1AMTNR1BSCN9AACACBKDM4E
SCHEMBL3727573 0.83 MTNR1A (0.57) MTNR1AMTNR1BSCN9AACACBKDM4E
SCHEMBL3719633 0.83 ACACB (0.53) MTNR1AMTNR1BSCN9AACACB
SCHEMBL3726202 0.82 ACACB (0.58) MTNR1AMTNR1BSCN9AACACBKDM4E

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