SCHEMBL6718259

SCHEMBL6718259

CCCN1CCC(c2cc(NC(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc2OC)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 11/20 0.51
▸ HTR1A P08908 6/20 0.50
▸ HTR1D P28221 6/20 0.50
▸ HTR1B P28222 6/20 0.50
▸ HTR2A P28223 4/20 0.50
▸ HTR2C P28335 3/20 0.50
▸ KIT P10721 2/20 0.50
▸ FLT3 P36888 2/20 0.50
▸ HTR6 P50406 2/20 0.50
▸ PANK3 Q9H999 1/20 0.50
▸ PDGFRA P16234 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL6714739 0.90 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6718482 0.89 SMN1; SMN2 (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6724729 0.87 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714894 0.86 HTR1A (0.49) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6715062 0.86 PANK3 (0.56) PDGFRBHTR1AHTR1DHTR1BHTR2A
SCHEMBL6718830 0.86 SMN1; SMN2 (0.49) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6720302 0.86 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6717572 0.86 MAPT (0.55) PDGFRBHTR1AHTR1DHTR1BHTR2A
SCHEMBL6717901 0.85 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6716503 0.84 HTR1A (0.53) 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 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 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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