SCHEMBL3724129

SCHEMBL3724129

CC(=O)NCCc1ccc2nc(Oc3ccc(OC(C)C)cc3Br)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.53
MTNR1B P49286 1/20 0.53
ACACB O00763 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOD2 Q9HC29 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACACA Q13085 3/20 0.39

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
SCHEMBL3720615 0.94 MTNR1A (0.53) MTNR1AMTNR1BACACBSMN1; SMN2PKM
SCHEMBL3728649 0.91 MTNR1A (0.55) MTNR1AMTNR1BACACBSMN1; SMN2PKM
SCHEMBL3726989 0.89 MTNR1A (0.50) MTNR1AMTNR1BACACBSMN1; SMN2ACACA
SCHEMBL3722996 0.89 MTNR1A (0.53) MTNR1AMTNR1BACACBSMN1; SMN2ALDH1A1
SCHEMBL3727055 0.88 ACACB (0.56) MTNR1AMTNR1BACACBSMN1; SMN2KDM4E
SCHEMBL3727615 0.87 MTNR1A (0.48) MTNR1AMTNR1BACACBSMN1; SMN2PKM
SCHEMBL3720900 0.87 MTNR1A (0.51) MTNR1AMTNR1BACACBSMN1; SMN2ALDH1A1
SCHEMBL3723798 0.86 MTNR1A (0.48) MTNR1AMTNR1BACACBSMN1; SMN2ACACA
SCHEMBL3718309 0.86 MTNR1A (0.49) MTNR1AMTNR1BPKMKDM4EALDH1A1
SCHEMBL3727352 0.85 MTNR1A (0.50) MTNR1AMTNR1BACACBSMN1; 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 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