SCHEMBL6973642

SCHEMBL6973642

CCCCN(CC)[N]CCC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.32

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
SCHEMBL6975507 0.90 CA12 (0.35) CA12CA1CA9CA2TSHR
SCHEMBL1704328 0.90 CA12 (0.36) CA12CA1CA9CA2TSHR
SCHEMBL6973884 0.85 CA12 (0.33) CA12CA1CA9CA2
SCHEMBL6970324 0.84 TSHR (0.35) CA12CA1CA9CA2TSHR
SCHEMBL6975472 0.82 CA12 (0.37) CA12CA1CA9CA2TSHR
SCHEMBL9421748 0.82 DNM1 (0.42) CA12CA1CA9CA2TSHR
SCHEMBL838600 0.81
SCHEMBL6968769 0.80 TSHR (0.32) CA12CA1CA9CA2TSHR
SCHEMBL1796805 0.79 CA12 (0.36) CA12CA1CA9CA2TSHR
SCHEMBL5449385 0.76 TSHR (0.36) CA12CA1CA9CA2TSHR

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