SCHEMBL3720107

SCHEMBL3720107

CCC(=O)NCCc1ccc2nc(Oc3ccc(OCC4CC4)cc3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.54
ACACB O00763 4/20 0.43
MTNR1B P49286 5/20 0.41
ACACA Q13085 1/20 0.39
SCN7A Q01118 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PTGES O14684 1/20 0.38

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
SCHEMBL3720199 0.90 MTNR1A (0.52) MTNR1AACACBMTNR1BACACAKDM4E
SCHEMBL3719950 0.85 MTNR1A (0.38) MTNR1AACACBACACASCN7A
SCHEMBL3726999 0.81 GPR4 (0.39) ACACBACACASCN7A
SCHEMBL3726019 0.80 ALDH1A1 (0.45) ALDH1A1HPGD
SCHEMBL3720089 0.80 TEC (0.37) ACACBACACASCN7A
SCHEMBL3722610 0.79 ACACB (0.51) MTNR1AACACBMTNR1BACACA
SCHEMBL3724290 0.79 MTNR1A (0.48) MTNR1AACACBMTNR1BACACA
SCHEMBL3720103 0.79 ACACB (0.54) ACACBACACA
SCHEMBL3727742 0.78 P2RX3 (0.40) ACACBACACASCN7A
SCHEMBL3719580 0.78 ACACB (0.38) ACACBACACASCN7A

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