SCHEMBL6975732

SCHEMBL6975732

CCCC[N]N(CCCC)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.39
CYP1A2 P05177 1/20 0.38
ADH1C P00326 3/20 0.36
SIGMAR1 Q99720 2/20 0.34
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ADH4 P08319 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
SCHEMBL6963743 0.98 ADH1A (0.37) ADH1ACYP1A2ADH1CSIGMAR1ADH4
SCHEMBL6976517 0.92 ADH1A (0.39) ADH1ACYP1A2ADH1CSIGMAR1THRA
SCHEMBL6975147 0.90 ADH1A (0.37) ADH1ACYP1A2ADH1CSIGMAR1ADH4
SCHEMBL6975102 0.90 ADH1C (0.37) ADH1AADH1CADH4
SCHEMBL6976009 0.89 CYP1A2 (0.38) ADH1ACYP1A2ADH1CSIGMAR1
SCHEMBL6974471 0.86 CYP1A2 (0.34) ADH1ACYP1A2ADH1CSIGMAR1
SCHEMBL6975311 0.86 ADH1A (0.40) ADH1ACYP1A2ADH1CSIGMAR1THRA
SCHEMBL6966061 0.84 ADH1A (0.38) ADH1ACYP1A2ADH1CTHRATHRB
SCHEMBL6974938 0.82 ADH1A (0.44) ADH1ACYP1A2ADH1CSIGMAR1
SCHEMBL6973777 0.82 ADH1C (0.37) ADH1AADH1CADH4

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