SCHEMBL3724136

SCHEMBL3724136

CCCOc1ccc(Oc2ccc3cc(CCNC(C)=O)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.57
MTNR1A P48039 6/20 0.55
MTNR1B P49286 3/20 0.55
ALDH1A1 P00352 2/20 0.51
SCN9A Q15858 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 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
ACACA Q13085 1/20 0.42

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
SCHEMBL3724327 0.90 MTNR1A (0.58) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3722807 0.88 MTNR1A (0.49) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3720900 0.88 MTNR1A (0.51) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3726202 0.87 ACACB (0.58) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3716841 0.87 MTNR1A (0.54) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3727674 0.86 MTNR1A (0.58) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3717149 0.86 MTNR1A (0.58) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3727682 0.85 MTNR1A (0.55) ACACBMTNR1AMTNR1BSCN9A
SCHEMBL3724569 0.85 MTNR1A (0.55) ACACBMTNR1AMTNR1BALDH1A1SCN9A
SCHEMBL3727573 0.85 MTNR1A (0.57) ACACBMTNR1AMTNR1BALDH1A1SCN9A

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