SCHEMBL6718830

SCHEMBL6718830

CCCN1CCC(c2cc(NC(=O)N3CCN(c4cc(C)cc(C)c4)CC3)ccc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HTR1A P08908 12/20 0.49
▸ HTR1D P28221 12/20 0.49
▸ HTR1B P28222 12/20 0.49
▸ HTR2A P28223 6/20 0.49
▸ HTR2C P28335 5/20 0.49
▸ HTR6 P50406 4/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR7 P34969 1/20 0.45
▸ DRD4 P21917 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
SCHEMBL6714953 0.92 CA12 (0.53) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6724729 0.92 HTR1A (0.52) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6720302 0.91 HTR1A (0.55) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6718482 0.90 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6714894 0.90 HTR1A (0.49) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6714739 0.89 HTR1A (0.62) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6717901 0.88 HTR1A (0.62) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6716503 0.87 HTR1A (0.53) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6717572 0.87 MAPT (0.55) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B
SCHEMBL6718801 0.87 HTR1A (0.65) SMN1; SMN2NPSR1HTR1AHTR1DHTR1B

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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