SCHEMBL6975347

SCHEMBL6975347

[CH2]N(CCC)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 6/20 0.50
ADH1C P00326 4/20 0.47
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SHBG P04278 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADH1B P00325 1/20 0.30
FAAH O00519 1/20 0.30
PHGDH O43175 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL6975521 0.98 ADH1A (0.48) ADH1AADH1CCYP1A2
SCHEMBL1678881 0.87
SCHEMBL6975259 0.86 ADH1A (0.42) ADH1AADH1CCYP1A2ALDH1A1
SCHEMBL6969286 0.84 ADH1A (0.41) ADH1AADH1CCYP1A2
SCHEMBL6977261 0.80 ADH1A (0.46) ADH1AADH1CCYP1A2ALDH1A1SHBG
SCHEMBL5253027 0.78 ADH1A (0.52) ADH1AADH1CCYP1A2ALDH1A1HRH4
SCHEMBL25510772 0.78 ADH1A (0.52) ADH1AADH1CCYP1A2ALDH1A1HRH4
SCHEMBL6975475 0.77
SCHEMBL17046153 0.76 ADH1A (0.50) ADH1AADH1CCYP1A2ALDH1A1HRH4
SCHEMBL24158306 0.75 ADH1A (0.54) ADH1AADH1CCYP1A2ALDH1A1SHBG

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