SCHEMBL6717901

SCHEMBL6717901

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cccc(OC)c4)CC3)ccc2OC)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.62
▸ HTR1D P28221 6/20 0.62
▸ HTR1B P28222 6/20 0.62
▸ MAPT P10636 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ DRD2 P14416 3/20 0.53
▸ CYP2C9 P11712 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ CACNA1G O43497 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6714953 0.92 CA12 (0.53) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6716503 0.92 HTR1A (0.53) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL6724729 0.92 HTR1A (0.52) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6718482 0.90 SMN1; SMN2 (0.55) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6714762 0.89 MAPT (0.68) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6717558 0.89 MAPT (0.58) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6714894 0.88 HTR1A (0.49) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6720302 0.88 HTR1A (0.55) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6718830 0.88 SMN1; SMN2 (0.49) HTR1AHTR1DHTR1BMAPTALDH1A1
SCHEMBL6714739 0.88 HTR1A (0.62) HTR1AHTR1DHTR1BMAPTALDH1A1

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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