SCHEMBL3720261

SCHEMBL3720261

CCOc1c(Cl)cc(Oc2ccc3cc(CCNC(C)=O)ccc3c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.51
MTNR1A P48039 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MTNR1B P49286 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
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
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL3719224 0.88 TRPV1 (0.46) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3722415 0.87 ACACB (0.51) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3726818 0.86 ACACB (0.64) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3728669 0.84 KDM4E (0.57) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3720307 0.83 MTNR1A (0.61) ACACBMTNR1ASMN1; SMN2MTNR1B
SCHEMBL3722351 0.82 SMN1; SMN2 (0.54) MTNR1ASMN1; SMN2MTNR1BMAPTALDH1A1
SCHEMBL3720263 0.81 LMNA (0.40) ACACBMTNR1ASMN1; SMN2MAPTALDH1A1
SCHEMBL3724679 0.80 ACACB (0.51) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3724593 0.80 ACACB (0.59) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3802105 0.80 TRPV1 (0.45) MTNR1ASMN1; SMN2MTNR1BMAPTKDM4E

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