SCHEMBL6975537

SCHEMBL6975537

CC[CH]NC(CC)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SHBG P04278 2/20 0.41
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
P2RX7 Q99572 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
SCHEMBL6973973 0.98 SHBG (0.45) SHBGEPHX1ALDH1A1NPSR1NPC1
SCHEMBL6962385 0.91 SHBG (0.37) SHBG
SCHEMBL6963958 0.84 SHBG (0.34) SHBGEPHX1ALDH1A1
SCHEMBL6968801 0.81 SHBG (0.43) SHBGEPHX1
SCHEMBL6971572 0.79 SHBG (0.46) SHBGEPHX1ALDH1A1NPSR1TP53
SCHEMBL6973956 0.77 CA12 (0.39) SHBGEPHX1ALDH1A1NPSR1TP53
SCHEMBL6976069 0.75 CA12 (0.42) SHBGEPHX1TP53
SCHEMBL6967311 0.75 SHBG (0.30) SHBG
SCHEMBL6976250 0.75 SHBG (0.30) SHBG
SCHEMBL1870619 0.75 SHBG (0.50) SHBGEPHX1TP53

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