SCHEMBL5260158

SCHEMBL5260158

Nc1ccc(C(F)(F)F)c(OCC2CCCN2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
LTA4H P09960 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
PRKCZ Q05513 1/20 0.45

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
SCHEMBL5261782 0.88 PRKCZ (0.37) CHRNB4CHRNA3LTA4HPRKCZ
SCHEMBL5260910 0.84 LTA4H (0.41) LTA4H
SCHEMBL7897252 0.81 CHRNB4 (0.63) CHRNB4CHRNA3LTA4HCHRNB2CHRNA4
SCHEMBL5429974 0.81 CHRNB4 (0.44) CHRNB4CHRNA3LTA4HCHRNB2CHRNA4
SCHEMBL4966862 0.81 CHRNB4 (0.44) CHRNB4CHRNA3LTA4HCHRNB2CHRNA4
SCHEMBL4969157 0.78 PRKCZ (0.36) CHRNB4CHRNA3LTA4HPRKCZ
SCHEMBL4360450 0.77 RAF1 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4360453 0.77 RAF1 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12122986 0.75 CHRNB2 (0.50) CHRNB4CHRNA3LTA4HCHRNB2CHRNA4
SCHEMBL5413650 0.74 TSHR (0.48)

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 14 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 disclosed
WO-2006012374-A1 SUBSTITUTED ARYL-AMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-02-02 WO disclosed
EP-1583744-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-10-12 EP disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 EP disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
EP-1519921-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-04-06 EP disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 WO disclosed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed