SCHEMBL3720845

SCHEMBL3720845

CC(=O)NCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)c(Br)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.46
MTNR1B P49286 3/20 0.46
HRH3 Q9Y5N1 5/20 0.44
ACACB O00763 2/20 0.42
SCN9A Q15858 1/20 0.40
HTR2C P28335 1/20 0.39
SRC P12931 1/20 0.39
MEN1 O00255 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3724290 0.96 MTNR1A (0.48) MTNR1AMTNR1BHRH3ACACBSCN9A
SCHEMBL3720495 0.93 MTNR1A (0.46) MTNR1AMTNR1BHRH3ACACBHTR2C
SCHEMBL3806067 0.90 MTNR1A (0.44) MTNR1AMTNR1BACACBSCN9AHTR2C
SCHEMBL3721082 0.86 MTNR1A (0.53) MTNR1AMTNR1BHRH3ACACBSCN9A
SCHEMBL3721288 0.86 MTNR1A (0.45) MTNR1AMTNR1BACACBHTR2CSRC
SCHEMBL3720375 0.84 MCHR1 (0.35) HRH3
SCHEMBL3720199 0.84 MTNR1A (0.52) MTNR1AMTNR1BACACBSCN9AHTR2C
SCHEMBL3719600 0.84 PDE4B (0.48) SCN9ASRCMEN1KMT2A
SCHEMBL3719602 0.83 SCN7A (0.34) ACACBSCN9ASRC
SCHEMBL3720615 0.83 MTNR1A (0.53) MTNR1AMTNR1BACACBSCN9AMEN1

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