SCHEMBL6535642

SCHEMBL6535642

COC(CC1CCCN1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
POLB P06746 1/20 0.45
SLC6A3 Q01959 4/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 1/20 0.45
DHFR P00374 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 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
SCHEMBL11447703 0.85 GHSR (0.47) CHRNB4CHRNA3SLC6A3SLC6A2SLC6A4
SCHEMBL11449218 0.85 CHRNB4 (0.58) CHRNB4CHRNA3SLC6A3SLC6A2SLC6A4
SCHEMBL11455640 0.85 GHSR (0.50) LTA4H
SCHEMBL20344302 0.82 POLB (0.51) CHRNB4CHRNA3POLBSLC6A3SLC6A2
SCHEMBL11449265 0.81 SLC6A3 (0.48) POLBSLC6A3SLC6A2SLC6A4LTA4H
SCHEMBL11467500 0.81 CHRNB4 (0.53) CHRNB4CHRNA3POLBSLC6A3SLC6A2
SCHEMBL11448946 0.81 LTA4H (0.51) POLBLTA4H
SCHEMBL11448205 0.81 POLB (0.49) POLBSLC6A3SLC6A2SLC6A4LTA4H
SCHEMBL11450310 0.80 POLB (0.48) POLBSLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL11466860 0.79 GHSR (0.52) SLC6A3SLC6A2SLC6A4LTA4H

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