SCHEMBL6716646

SCHEMBL6716646

CCCN1CCC(c2cc(NC(=O)N3CCN(c4ccccc4Cl)CC3)ccc2OC)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.64
▸ HTR1D P28221 10/20 0.64
▸ HTR1B P28222 10/20 0.64
▸ HTR2C P28335 5/20 0.64
▸ HTR6 P50406 5/20 0.64
▸ HTR2A P28223 4/20 0.64
▸ HTR7 P34969 2/20 0.64
▸ RBP4 P02753 1/20 0.55
▸ MAPT P10636 4/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ MALT1 Q9UDY8 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ DRD2 P14416 1/20 0.49

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
SCHEMBL6717734 0.94 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717524 0.93 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714920 0.93 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717660 0.91 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720400 0.88 MAPT (0.58) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714739 0.88 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6720302 0.88 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714750 0.87 HTR1A (0.54) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717572 0.87 MAPT (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6716503 0.87 HTR1A (0.53) 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 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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