SCHEMBL6968801

SCHEMBL6968801

C[CH]NC(CC)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.43
KDM4E B2RXH2 1/20 0.33
EPHX1 P07099 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
SCHEMBL6971572 0.98 SHBG (0.46) SHBGKDM4EEPHX1
SCHEMBL6967494 0.91
SCHEMBL6971461 0.83 SHBG (0.35) SHBG
SCHEMBL6963719 0.82 SHBG (0.39) SHBGKDM4EEPHX1
SCHEMBL6975537 0.81 SHBG (0.41) SHBGEPHX1
SCHEMBL6973973 0.79 SHBG (0.45) SHBGKDM4EEPHX1
SCHEMBL170904 0.77 SHBG (0.50) SHBGKDM4EEPHX1
SCHEMBL1870619 0.77 SHBG (0.50) SHBGKDM4EEPHX1
SCHEMBL24351545 0.75
SCHEMBL1864078 0.75 SHBG (0.54) SHBGKDM4EEPHX1

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