SCHEMBL3720862

SCHEMBL3720862

CC(=O)NCCc1ccc2cc(Oc3ccc(Oc4ccccn4)cc3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.53
MTNR1A P48039 2/20 0.49
MTNR1B P49286 1/20 0.49
SCN7A Q01118 3/20 0.47
KCNH2 Q12809 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 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
EGLN2 Q96KS0 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
PLAAT3 P53816 3/20 0.45
PLAAT5 Q96KN8 3/20 0.45
PLAAT2 Q9NWW9 3/20 0.45

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
SCHEMBL3724568 0.89 ACACB (0.44) ACACBMTNR1AMTNR1BSCN7AKCNH2
SCHEMBL3721546 0.89 ACACB (0.45) ACACBMTNR1AMTNR1BSCN7AKCNH2
SCHEMBL3717955 0.83 SCN7A (0.49) ACACBMTNR1AMTNR1BSCN7AKCNH2
SCHEMBL3724310 0.83 SCN7A (0.49) ACACBMTNR1AMTNR1BSCN7AKCNH2
SCHEMBL3726818 0.81 ACACB (0.64) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3726453 0.81 KDM4E (0.63) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3727069 0.79 MTNR1A (0.62) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E
SCHEMBL3719542 0.78 MTNR1A (0.48) ACACBMTNR1AMTNR1B
SCHEMBL3720307 0.78 MTNR1A (0.61) ACACBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL3727134 0.78 ACACB (0.67) ACACBMTNR1AMTNR1BSMN1; SMN2KDM4E

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