SCHEMBL18531990

SCHEMBL18531990

CC(=O)NC(C)CCC(C)NS

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
ACACB O00763 11/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ACACA Q13085 1/20 0.37

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
SCHEMBL13645890 0.81 TAS1R3 (0.47) MTNR1AMTNR1BACACBALDH1A1ACACA
SCHEMBL2736111 0.79 MTNR1A (0.43) MTNR1AMTNR1BACACBALDH1A1ACACA
SCHEMBL13242519 0.77 GABRP (0.43) MTNR1AMTNR1BACACBALDH1A1
SCHEMBL13932519 0.76
SCHEMBL7890560 0.76
SCHEMBL8142982 0.76
SCHEMBL8435514 0.76
SCHEMBL13452338 0.76
SCHEMBL18520329 0.76
SCHEMBL28663197 0.76 MTNR1A (0.41) MTNR1AMTNR1BACACBALDH1A1ACACA

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
US-9575080-B2 2017-02-21 US disclosed