SCHEMBL6717558

SCHEMBL6717558

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTR1A P08908 5/20 0.49
▸ HTR1D P28221 5/20 0.49
▸ HTR1B P28222 5/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ P2RY12 Q9H244 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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 0.90 CA12 (0.53) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6717551 0.89 MAPT (0.58) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6717901 0.89 HTR1A (0.62) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6716503 0.88 HTR1A (0.53) MAPTMAPK1HTR1AHTR1DHTR1B
SCHEMBL6714762 0.87 MAPT (0.68) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6718482 0.86 SMN1; SMN2 (0.55) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6714894 0.85 HTR1A (0.49) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6718830 0.85 SMN1; SMN2 (0.49) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6714774 0.84 HTR1A (0.56) MAPTHTR1AHTR1DHTR1BL3MBTL1
SCHEMBL6724729 0.84 HTR1A (0.52) MAPTALDH1A1MAPK1HTR1AHTR1D

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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