SCHEMBL6718699

SCHEMBL6718699

CCCN1CCC(c2cc(NC(=O)N3CCN(c4ccc(Cl)c(C(F)(F)F)c4)CC3)ccc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.49
▸ HTR1D P28221 6/20 0.49
▸ HTR1B P28222 6/20 0.49
▸ MAPT P10636 6/20 0.49
▸ HTR2A P28223 4/20 0.49
▸ HTR2C P28335 3/20 0.49
▸ HTR6 P50406 3/20 0.49
▸ CDK1 P06493 2/20 0.47
▸ IGF1R P08069 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ BRAF P15056 2/20 0.47
▸ FGFR2 P21802 2/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ FGFR3 P22607 2/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ AXL P30530 2/20 0.47
▸ CDK5 Q00535 2/20 0.47
▸ PTK2B Q14289 2/20 0.47
▸ RBP4 P02753 1/20 0.46

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
SCHEMBL6717572 0.90 MAPT (0.55) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6714739 0.88 HTR1A (0.62) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6718189 0.88 MAPT (0.50) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6718482 0.87 SMN1; SMN2 (0.55) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6720302 0.86 HTR1A (0.55) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6714762 0.86 MAPT (0.68) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6716503 0.86 HTR1A (0.53) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6714894 0.85 HTR1A (0.49) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6724729 0.84 HTR1A (0.52) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6716667 0.83 HTR1A (0.47) HTR1AHTR1DHTR1BMAPTHTR2A

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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