SCHEMBL3724327

SCHEMBL3724327

CCCc1ccc(Oc2ccc3cc(CCNC(C)=O)ccc3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.58
MTNR1B P49286 1/20 0.58
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ACACB O00763 6/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SCN9A Q15858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
F13A1 P00488 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL3717149 0.91 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3724569 0.90 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3724136 0.90 ACACB (0.57) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3716841 0.89 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3727674 0.89 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3720171 0.88 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3727573 0.88 MTNR1A (0.57) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3717144 0.88 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3717719 0.87 MTNR1A (0.58) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB
SCHEMBL3727055 0.87 ACACB (0.56) MTNR1AMTNR1BALDH1A1SMN1; SMN2ACACB

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