SCHEMBL3724124

SCHEMBL3724124

CC(=O)NCCc1ccc2nc(Oc3ccc(SC(C)C)cc3Cl)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ACACB O00763 6/20 0.41
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 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
PKM P14618 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CES2 O00748 1/20 0.36
RAF1 P04049 2/20 0.35

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
SCHEMBL3717456 0.90 MTNR1A (0.50) MTNR1AMTNR1BLMNAMAPTKDM4E
SCHEMBL3724459 0.88 MTNR1A (0.48) MTNR1AMTNR1BACACBLMNAMAPT
SCHEMBL3726989 0.86 MTNR1A (0.50) MTNR1AMTNR1BACACB
SCHEMBL3720771 0.85 MTNR1A (0.54) MTNR1AMTNR1BACACBLMNAMAPT
SCHEMBL3720478 0.84 GLA (0.40) ACACBLMNAKDM4E
SCHEMBL3720064 0.84 ACACB (0.50) MTNR1AMTNR1BACACB
SCHEMBL3719892 0.82 ACACB (0.32) ACACBLMNAMAPTHIF1ARXFP1
SCHEMBL3720627 0.82 MTNR1A (0.50) MTNR1AMTNR1BACACBLMNAMAPT
SCHEMBL3723076 0.82 MTNR1A (0.50) MTNR1AMTNR1BACACBMAPTALDH1A1
SCHEMBL3720513 0.81 MTNR1A (0.49) MTNR1AMTNR1BACACBCES2

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