SCHEMBL6717734

SCHEMBL6717734

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cccc(Cl)c4Cl)CC3)ccc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.56
▸ HTR1D P28221 8/20 0.56
▸ HTR1B P28222 8/20 0.56
▸ HTR2C P28335 4/20 0.56
▸ HTR6 P50406 4/20 0.56
▸ HTR2A P28223 4/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 2/20 0.48
▸ TRPV1 Q8NER1 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ RBP4 P02753 1/20 0.48
▸ RAB9A P51151 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
SCHEMBL6716646 0.94 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717524 0.93 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714920 0.93 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720400 0.88 MAPT (0.58) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717660 0.87 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717731 0.87 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6716503 0.87 HTR1A (0.53) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720302 0.85 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714739 0.85 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6718241 0.85 HTR1A (0.69) HTR1AHTR1DHTR1BHTR2CHTR6

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 3 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
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