SCHEMBL6923261

SCHEMBL6923261

COC(=O)C1CN(C)CCC1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 1.00
SLC6A4 P31645 4/20 1.00
SLC6A3 Q01959 4/20 1.00

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
SCHEMBL6923257 1.00 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL6831507 0.87 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL6831510 0.87 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3
SCHEMBL13525560 0.87 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL4792208 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL1086468 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL4507925 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL5110398 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL6829747 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3
SCHEMBL13979141 0.86 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3

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
US-7351711-B2 Tricyclic indanyls as integrin inhibitors JANSSEN PHARMACEUTICAL, N.V. (BE) 2008-04-01 US disclosed
EP-1506779-B1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA NV (BE) 2006-07-12 EP disclosed
EP-1506779-A1 (3-(4-(Pyridin-2-ylamino)-butyryl)-2,3,4,4a,9,9a-hexahydro-1H-3-aza-fluoren-9-yl)-acetic acid derivatives and related tricyclic indanyls as alphaVbeta3 and alphaVbeta5 integrin inhibitors for the treatment of cancer and unstable angina JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2004043921-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-ARYL-3-HYDROXYMETHYL-1-METHYLPIPERIDINES. NATCO PHARMA LIMITED (IN) 2004-05-27 WO disclosed
WO-2002032870-A1 PROCESS OF THE PREPARATION OF 3-SUBSTITUTED-4-ARYL PIPERIDINE COMPOUNDS SMITHKLINE BEECHAM P.L.C. (GB) 2002-04-25 WO disclosed
WO-2001029032-A1 PROCESS FOR THE PREPARATION OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-26 WO disclosed
US-6172233-B1 Process for making paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-01-09 US disclosed