SCHEMBL3724593

SCHEMBL3724593

CCOc1ccc(Oc2ccc3cc(CCNC(C)=O)ccc3c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.59
MTNR1A P48039 3/20 0.52
MTNR1B P49286 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
SCN9A Q15858 1/20 0.45
ACACA Q13085 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 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

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
SCHEMBL3727069 0.90 MTNR1A (0.62) ACACBMTNR1AMTNR1BSMN1; SMN2SCN9A
SCHEMBL3726818 0.86 ACACB (0.64) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3720307 0.83 MTNR1A (0.61) ACACBMTNR1AMTNR1BSMN1; SMN2ACACA
SCHEMBL3724679 0.80 ACACB (0.51) ACACBMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL3722415 0.80 ACACB (0.51) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3720261 0.80 ACACB (0.51) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3717125 0.80 MTNR1A (0.64) ACACBMTNR1AMTNR1BSMN1; SMN2SCN9A
SCHEMBL3726453 0.78 KDM4E (0.63) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3720862 0.78 ACACB (0.53) ACACBMTNR1AMTNR1BSMN1; SMN2SCN9A
SCHEMBL3721156 0.78 MTNR1A (0.55) ACACBMTNR1AMTNR1BSMN1; SMN2SCN9A

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 2 patents. 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 claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed