SCHEMBL7575256

SCHEMBL7575256

Clc1ccc(C#CC/N=C/c2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.35
CA2 P00918 3/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2C P28335 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL7575258 1.00 G6PC1 (0.35) G6PC1CA2LMNAL3MBTL1PTGDR2
SCHEMBL7573436 0.82 HPGD (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7582042 0.82 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573431 0.82 HPGD (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573124 0.82 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7573127 0.82 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7582036 0.82 CA2 (0.33) CA2LMNAL3MBTL1TAAR1CA12
SCHEMBL7580291 0.76 FFAR1 (0.35) G6PC1CA2LMNAL3MBTL1TAAR1
SCHEMBL7580296 0.76 FFAR1 (0.35) G6PC1CA2LMNAL3MBTL1TAAR1
SCHEMBL7574047 0.75 CA2 (0.32) CA2LMNAL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810199-B1 Method for producing propargylamine compounds SUMITOMO CHEMICAL CO (JP) 2002-09-25 EP disclosed
US-5756769-A Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1998-05-26 US disclosed
EP-0810199-A1 Method for producing propargylamine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-12-03 EP disclosed