SCHEMBL6535358

SCHEMBL6535358

Clc1ccc(OC2CCN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.50
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 5/20 0.50
LTA4H P09960 6/20 0.42
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.37

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
SCHEMBL29980530 0.78 HRH1 (0.55) SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL8553781 0.76 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL16657595 0.74 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3LTA4HHTR2C
SCHEMBL187857 0.73 HRH1 (0.66) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL28818041 0.73 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3LTA4HHTR2C
SCHEMBL29150979 0.72 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3HTR2CCHRNB4
Hydrochloric Acid SCHEMBL1808272 0.72 HRH1 (0.63) SLC6A4SLC6A2SLC6A3LTA4HHTR2C
SCHEMBL4789557 0.72 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3
SCHEMBL2344178 0.71 HTR2C (0.66) SLC6A4SLC6A2SLC6A3HTR2CHTR2B
Hydrochloric Acid SCHEMBL21071433 0.71 HRH1 (0.61) SLC6A4SLC6A2SLC6A3HTR2CHTR2B

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