SCHEMBL17067939

SCHEMBL17067939

C#CCNC(=O)CCOCC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL16441216 0.87 CNR2 (0.39) CNR2TSHRL3MBTL1MTNR1AMTNR1B
SCHEMBL26758488 0.81 TSHR (0.42) SMN1; SMN2CNR2TSHRL3MBTL1MTNR1A
SCHEMBL21907199 0.81 MTNR1A (0.33) CNR2TSHRL3MBTL1MTNR1AMTNR1B
SCHEMBL2742841 0.81 TSHR (0.42) SMN1; SMN2CNR2TSHRL3MBTL1MTNR1A
SCHEMBL18090276 0.81 MTNR1A (0.33) CNR2TSHRL3MBTL1MTNR1AMTNR1B
SCHEMBL29263611 0.80 MTNR1A (0.33) CNR2TSHRL3MBTL1MTNR1AMTNR1B
SCHEMBL17766460 0.80 MTNR1A (0.33) CNR2TSHRL3MBTL1MTNR1AMTNR1B
SCHEMBL31296167 0.80 MTNR1A (0.33) CNR2TSHRL3MBTL1MTNR1AMTNR1B
SCHEMBL23135478 0.80 TSHR (0.47) SMN1; SMN2CNR2TSHRALDH1A1L3MBTL1
SCHEMBL25680587 0.79 FAAH (0.48) SMN1; SMN2TSHRALDH1A1POLBNAMPT

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
EP-2378288-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2015-09-09 EP disclosed