SCHEMBL6535643

SCHEMBL6535643

COC(Cc1ccccc1)C1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.49
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 3/20 0.49
DHFR P00374 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1665121 0.82 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2691265 0.80 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL26725876 0.80 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL22461958 0.77 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL25339415 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL22461896 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL22260324 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL20833040 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL10821514 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL9371327 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242081-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2004-07-21 EP disclosed
EP-1001933-A4 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2002-11-06 EP disclosed
EP-1242081-A1 CASPASES AND APOPTOSIS SmithKline Beecham Corporation (US) 2002-09-25 EP disclosed
US-6403792-B1 INHIBIT PRODUCTION OF CASPASE 3 AND 7 IN MAMMALS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
WO-2001022966-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-05 WO disclosed
EP-1001933-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 2000-05-24 EP disclosed
WO-1999006367-A1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-11 WO disclosed