SCHEMBL6714894

SCHEMBL6714894

CCCN1CCC(c2cc(NC(=O)N3CCN(c4ccc(C)c(C)c4)CC3)ccc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 11/20 0.49
▸ HTR1D P28221 11/20 0.49
▸ HTR1B P28222 11/20 0.49
▸ HTR2A P28223 5/20 0.49
▸ HTR2C P28335 4/20 0.49
▸ HTR6 P50406 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ DRD2 P14416 1/20 0.44

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
SCHEMBL6718482 0.92 SMN1; SMN2 (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6718830 0.90 SMN1; SMN2 (0.49) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714739 0.90 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714953 0.89 CA12 (0.53) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6717572 0.89 MAPT (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6724729 0.89 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6717901 0.88 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6720302 0.88 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6716746 0.87 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6716503 0.87 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 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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