SCHEMBL6969286

SCHEMBL6969286

[CH2]N(CCCC)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.41
ADH1C P00326 3/20 0.41
CYP1A2 P05177 1/20 0.38
ADH4 P08319 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
BCHE P06276 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
SCHEMBL6975259 0.98 ADH1A (0.42) ADH1AADH1CCYP1A2ADH4L3MBTL1
SCHEMBL1678794 0.91
SCHEMBL6975521 0.86 ADH1A (0.48) ADH1AADH1CCYP1A2
SCHEMBL1680184 0.84 ADH1C (0.48) ADH1AADH1CCYP1A2ADH4L3MBTL1
SCHEMBL6975347 0.84 ADH1A (0.50) ADH1AADH1CCYP1A2
SCHEMBL1678952 0.82 ADH1C (0.52) ADH1AADH1CADH4THRB
SCHEMBL3373129 0.79 ADH1A (0.42) ADH1AADH1CCYP1A2ADH4
SCHEMBL14159145 0.77 ADH1A (0.44) ADH1AADH1CCYP1A2ADH4THRA
SCHEMBL5253542 0.77 ADH1A (0.44) ADH1AADH1CCYP1A2ADH4THRA
SCHEMBL517191 0.76 ADH1A (0.43) ADH1AADH1CCYP1A2ADH4

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-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed