SCHEMBL6716667

SCHEMBL6716667

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cccc(C(F)(F)F)c4C)CC3)ccc2OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 10/20 0.47
▸ HTR1D P28221 10/20 0.47
▸ HTR1B P28222 10/20 0.47
▸ RBP4 P02753 2/20 0.47
▸ HTR2C P28335 4/20 0.47
▸ HTR6 P50406 4/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ HTR7 P34969 2/20 0.47
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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 0.90 MAPT (0.58) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717524 0.88 HTR1A (0.56) HTR1AHTR1DHTR1BRBP4HTR2C
SCHEMBL6716662 0.88 RBP4 (0.49) HTR1AHTR1DHTR1BRBP4HTR2C
SCHEMBL6717660 0.86 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6716646 0.85 HTR1A (0.64) HTR1AHTR1DHTR1BRBP4HTR2C
SCHEMBL6714762 0.84 MAPT (0.68) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717734 0.84 HTR1A (0.56) HTR1AHTR1DHTR1BRBP4HTR2C
SCHEMBL6714774 0.84 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714920 0.83 HTR1A (0.56) HTR1AHTR1DHTR1BRBP4HTR2C
SCHEMBL6718699 0.83 HTR1A (0.49) HTR1AHTR1DHTR1BRBP4HTR2C

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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