SCHEMBL6714774

SCHEMBL6714774

CCCN1CCC(c2cc(NC(=O)N3CCN(c4c(C)cccc4C)CC3)ccc2OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 9/20 0.56
▸ HTR1D P28221 9/20 0.56
▸ HTR1B P28222 9/20 0.56
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ P2RX7 Q99572 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 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
SCHEMBL6720400 0.91 MAPT (0.58) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6717660 0.90 HTR1A (0.64) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6714953 0.88 CA12 (0.53) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6714894 0.87 HTR1A (0.49) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL6717901 0.87 HTR1A (0.62) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL6718830 0.87 SMN1; SMN2 (0.49) HTR1AHTR1DHTR1BMAPTSMN1; SMN2
SCHEMBL6716746 0.86 HTR1A (0.55) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6718801 0.86 HTR1A (0.65) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6716503 0.86 HTR1A (0.53) HTR1AHTR1DHTR1BMAPTHTT
SCHEMBL6717524 0.86 HTR1A (0.56) HTR1AHTR1DHTR1BMAPTRAB9A

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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