SCHEMBL3720307

SCHEMBL3720307

CCOc1cccc(Oc2ccc3cc(CCNC(C)=O)ccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.61
ACACB O00763 3/20 0.57
MTNR1B P49286 9/20 0.50
ACACA Q13085 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3726818 0.91 ACACB (0.64) MTNR1AACACBMTNR1BSMN1; SMN2
SCHEMBL3724114 0.88 SMN1; SMN2 (0.62) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL3720876 0.87 MTNR1A (0.53) MTNR1AACACBMTNR1BSMN1; SMN2
SCHEMBL3726746 0.84 ACACB (0.53) MTNR1AACACBMTNR1BSMN1; SMN2
SCHEMBL3719870 0.84 LTA4H (0.53) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL3720261 0.83 ACACB (0.51) MTNR1AACACBMTNR1BSMN1; SMN2
SCHEMBL3724679 0.83 ACACB (0.51) MTNR1AACACBMTNR1BSMN1; SMN2
SCHEMBL3722415 0.83 ACACB (0.51) MTNR1AACACBMTNR1BSMN1; SMN2
SCHEMBL3724593 0.83 ACACB (0.59) MTNR1AACACBMTNR1BACACASMN1; SMN2
SCHEMBL3726453 0.81 KDM4E (0.63) MTNR1AACACBMTNR1BSMN1; SMN2

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