SCHEMBL6716503

SCHEMBL6716503

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2OC)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.53
▸ HTR1D P28221 5/20 0.53
▸ HTR1B P28222 5/20 0.53
▸ HTR2A P28223 2/20 0.53
▸ HTR2C P28335 2/20 0.53
▸ HTR6 P50406 2/20 0.53
▸ MAPT P10636 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ PANK3 Q9H999 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ RBP4 P02753 1/20 0.50
▸ THRB P10828 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL6717901 0.92 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6720302 0.92 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714739 0.92 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714953 0.92 CA12 (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6717572 0.90 MAPT (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6718482 0.90 SMN1; SMN2 (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714762 0.89 MAPT (0.68) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6717558 0.88 MAPT (0.58) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6724729 0.88 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714894 0.87 HTR1A (0.49) HTR1AHTR1DHTR1BHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP claimed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO disclosed
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