SCHEMBL6720400

SCHEMBL6720400

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HTR1A P08908 12/20 0.55
▸ HTR1D P28221 12/20 0.55
▸ HTR1B P28222 12/20 0.55
▸ STS P08842 2/20 0.53
▸ HTR2C P28335 3/20 0.51
▸ HTR6 P50406 3/20 0.51
▸ HTR2A P28223 2/20 0.51
▸ HTR7 P34969 2/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL6717660 0.93 HTR1A (0.64) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL6717524 0.92 HTR1A (0.56) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL6714774 0.91 HTR1A (0.56) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL6716667 0.90 HTR1A (0.47) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL6716646 0.88 HTR1A (0.64) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL8691191 0.88 HTR1A (0.68) MAPTALDH1A1LMNATSHRMAPK1
SCHEMBL6718241 0.88 HTR1A (0.69) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL6717734 0.88 HTR1A (0.56) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL6716746 0.87 HTR1A (0.55) MAPTMAPK1HTR1AHTR1DHTR1B
SCHEMBL6718801 0.87 HTR1A (0.65) MAPTLMNAHTR1AHTR1DHTR1B

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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