SCHEMBL3727352

SCHEMBL3727352

CC(=O)NCCc1ccc2nc(Oc3ccc(OC(C)C)c(C)c3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.50
MTNR1B P49286 1/20 0.50
ACACB O00763 7/20 0.45
SCN9A Q15858 3/20 0.42
ACACA Q13085 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3720615 0.91 MTNR1A (0.53) MTNR1AMTNR1BACACBSCN9AACACA
SCHEMBL3720513 0.90 MTNR1A (0.49) MTNR1AMTNR1BACACBSCN9AACACA
SCHEMBL3727055 0.88 ACACB (0.56) MTNR1AMTNR1BACACBSCN9AACACA
SCHEMBL3721521 0.87 MTNR1A (0.48) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3727615 0.85 MTNR1A (0.48) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3726989 0.85 MTNR1A (0.50) MTNR1AMTNR1BACACBSCN9AACACA
SCHEMBL3724129 0.85 MTNR1A (0.53) MTNR1AMTNR1BACACBSCN9AACACA
SCHEMBL3728649 0.85 MTNR1A (0.55) MTNR1AMTNR1BACACBSMN1; SMN2KDM4E
SCHEMBL3726805 0.84 MTNR1A (0.49) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3717955 0.84 SCN7A (0.49) MTNR1AMTNR1BACACBSCN9A

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