SCHEMBL3721082

SCHEMBL3721082

CCOc1ccc(Oc2ccc3cc(CCNC(C)=O)ccc3n2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 3/20 0.53
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
ACACB O00763 3/20 0.44
SCN9A Q15858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41

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
SCHEMBL3722996 0.93 MTNR1A (0.53) MTNR1AMTNR1BMAPTPOLBACACB
SCHEMBL3719787 0.89 MTNR1A (0.50) MTNR1AMTNR1BMAPTPOLBACACB
SCHEMBL3720615 0.89 MTNR1A (0.53) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3724290 0.88 MTNR1A (0.48) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3724679 0.88 ACACB (0.51) MTNR1AMTNR1BMAPTPOLBACACB
SCHEMBL3720900 0.87 MTNR1A (0.51) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3720845 0.86 MTNR1A (0.46) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3724129 0.85 MTNR1A (0.53) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3726083 0.83 GLA (0.39) MAPTPOLBSCN9ASMN1; SMN2
SCHEMBL3723076 0.83 MTNR1A (0.50) MTNR1AMTNR1BMAPTPOLBACACB

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