SCHEMBL3720495

SCHEMBL3720495

CC(=O)NCCc1ccc2nc(Oc3ccc(OCC4CCCCC4)cc3Br)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 1/20 0.46
HRH3 Q9Y5N1 5/20 0.41
ACACB O00763 5/20 0.40
HTR2C P28335 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PDE10A Q9Y233 2/20 0.38
MEN1 O00255 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACA Q13085 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL3720845 0.93 MTNR1A (0.46) MTNR1AMTNR1BHRH3ACACBHTR2C
SCHEMBL3721288 0.91 MTNR1A (0.45) MTNR1AMTNR1BACACBHTR2CPARP15
SCHEMBL3724290 0.89 MTNR1A (0.48) MTNR1AMTNR1BHRH3ACACBHTR2C
SCHEMBL3722996 0.86 MTNR1A (0.53) MTNR1AMTNR1BACACB
SCHEMBL3722610 0.86 ACACB (0.51) MTNR1AMTNR1BACACBHTR2CPDE10A
SCHEMBL3806067 0.85 MTNR1A (0.44) MTNR1AMTNR1BACACBHTR2CKMT2A
SCHEMBL3720900 0.85 MTNR1A (0.51) MTNR1AMTNR1BHRH3ACACB
SCHEMBL3719459 0.84 PARP10 (0.37) PARP15PARP10
SCHEMBL3720199 0.84 MTNR1A (0.52) MTNR1AMTNR1BACACBHTR2CACACA
SCHEMBL3721101 0.84 PDE4B (0.44) ACACBPARP15PARP10MEN1KMT2A

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