SCHEMBL6969416

SCHEMBL6969416

CC(C)N(C[NH])C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.42
ADH1C P00326 3/20 0.42
ADH1B P00325 1/20 0.42
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
SHBG P04278 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
SCHEMBL6976549 0.98 ADH1C (0.39) ADH1AADH1CADH1B
SCHEMBL6962113 0.88
SCHEMBL13301673 0.81 ADH1A (0.45) ADH1AADH1CADH1BMEN1ALDH1A1
SCHEMBL13503176 0.79 ADH1A (0.43) ADH1AADH1CADH1BMEN1ALDH1A1
SCHEMBL4570869 0.79 ADH1A (0.43) ADH1AADH1CADH1BMEN1ALDH1A1
Hydrochloric Acid SCHEMBL10688333 0.78 ADH1A (0.39) ADH1AADH1CADH1BMEN1ALDH1A1
SCHEMBL10433622 0.77 ADH1A (0.42) ADH1AADH1CADH1BSHBG
SCHEMBL19322515 0.77 ADH1A (0.42) ADH1AADH1CADH1BMEN1ALDH1A1
SCHEMBL736379 0.77 ADH1A (0.42) ADH1AADH1CADH1BMEN1ALDH1A1
SCHEMBL104547 0.76 ADH1A (0.40) ADH1AADH1CADH1BMEN1ALDH1A1

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