SCHEMBL4966930

SCHEMBL4966930

CC(C)(C)OC(=O)C(O)C1CCCN1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL990458 1.00 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8792121 1.00 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8792638 0.91 CHRM2 (0.32) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2486522 0.91 CHRM2 (0.32) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL2486520 0.91 CHRM2 (0.32) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL3905650 0.87 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL4966921 0.83 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL9093668 0.82 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL1088984 0.82 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8563263 0.82 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773817-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2007-04-18 EP claimed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO claimed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP claimed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP claimed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
EP-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-0741722-B1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-06-13 EP disclosed
EP-0758330-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP disclosed
WO-1995030675-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-11-16 WO disclosed