SCHEMBL6965872

SCHEMBL6965872

CCC[CH]NC(CCC)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.32
P2RX7 Q99572 2/20 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
SCHEMBL6970474 0.98 SHBG (0.33) SHBGSMN1; SMN2
SCHEMBL6961340 0.91
SCHEMBL6963958 0.85 SHBG (0.34) SHBGSMN1; SMN2EPHX1
SCHEMBL6963719 0.81 SHBG (0.39) SHBGSMN1; SMN2EPHX1
SCHEMBL22244734 0.80 ADH1A (0.42) SHBGSMN1; SMN2EPHX1
SCHEMBL6971461 0.79 SHBG (0.35) SHBGSMN1; SMN2
SCHEMBL6974490 0.78 SHBG (0.39) SHBGSMN1; SMN2EPHX1
SCHEMBL6967311 0.77 SHBG (0.30) SHBG
SCHEMBL6976250 0.77 SHBG (0.30) SHBG
SCHEMBL6966593 0.76 SHBG (0.35) SHBGEPHX1

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