SCHEMBL6716746

SCHEMBL6716746

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.55
▸ HTR1D P28221 10/20 0.55
▸ HTR1B P28222 10/20 0.55
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ HTR2A P28223 3/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ HTR6 P50406 3/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TP53 P04637 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
SCHEMBL6718801 0.93 HTR1A (0.65) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6714750 0.92 HTR1A (0.54) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6717660 0.91 HTR1A (0.64) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6720400 0.87 MAPT (0.58) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6714894 0.87 HTR1A (0.49) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6718830 0.87 SMN1; SMN2 (0.49) HTR1AHTR1DHTR1BMAPTHTR2A
SCHEMBL6714953 0.86 CA12 (0.53) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6716740 0.86 HTR1A (0.54) HTR1AHTR1DHTR1BMAPTHTT
SCHEMBL6714774 0.86 HTR1A (0.56) HTR1AHTR1DHTR1BMAPTHTT
SCHEMBL6716646 0.85 HTR1A (0.64) HTR1AHTR1DHTR1BMAPTHTT

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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