SCHEMBL4524258

SCHEMBL4524258

FC(F)(F)[CH]OCCN1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
PSMB1 P20618 5/20 0.37
PSMB5 P28074 5/20 0.37
PSMB2 P49721 4/20 0.37
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL21677320 0.77 ALDH1A1 (0.45) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL28110383 0.72 HRH3 (0.42) HRH3PSMB1PSMB5PSMB2ALDH1A1
SCHEMBL1883485 0.72 HRH3 (0.42) HRH3PSMB1PSMB5PSMB2ALDH1A1
SCHEMBL16527276 0.72 HRH3 (0.42) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL271825 0.72 HRH3 (0.42) HRH3PSMB1PSMB5PSMB2ALDH1A1
SCHEMBL11745202 0.72 HRH3 (0.42) HRH3PSMB1PSMB5PSMB2ALDH1A1
Hydrochloric Acid SCHEMBL27699271 0.71 HRH3 (0.41) HRH3PSMB1PSMB5PSMB2ALDH1A1
SCHEMBL25147564 0.70 LTA4H (0.39) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL1222548 0.70 HRH3 (0.39) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL27990838 0.70 CARM1 (0.39) LTA4HHRH3PSMB1PSMB5PSMB2

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4338974-B2 2009-10-07 JP claimed
EP-1664023-A1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP 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
EP-1519921-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2005-04-06 EP claimed
WO-2005021533-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP claimed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 WO claimed
JP-2004527499-A 2004-09-09 JP claimed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO claimed
WO-2004007457-A2 SUBSTITUTED BENZYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-22 WO claimed
WO-2004005279-A2 SUBSTITUTED ANTHRANILIC AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2004-01-15 WO claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP claimed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO claimed