SCHEMBL6261942

SCHEMBL6261942

COc1ccc(NC(=O)N2CCc3ccc4c(c3CC2)CCC4)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.48
▸ HTR1D P28221 2/20 0.48
▸ HTR1B P28222 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ SHMT2 P34897 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL6718238 0.85 HTR1A (0.69) HTR1AHTR1DHTR1B
SCHEMBL6714770 0.81 HTR1A (0.56) HTR1AHTR1DHTR1BL3MBTL1SMN1; SMN2
SCHEMBL6724427 0.80 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2
SCHEMBL6220946 0.80 MEN1 (0.47) HTR1AHTR1DHTR1BL3MBTL1SMN1; SMN2
SCHEMBL6223661 0.79 NAMPT (0.49) HTR1AHTR1DHTR1BL3MBTL1SMN1; SMN2
SCHEMBL6222627 0.79 MEN1 (0.43) HTR1AHTR1DHTR1BL3MBTL1
SCHEMBL6724719 0.79 HTR1A (0.52) HTR1AHTR1DHTR1BL3MBTL1SMN1; SMN2
SCHEMBL6222169 0.79 NAMPT (0.48) L3MBTL1THRB
SCHEMBL6718478 0.79 MAPT (0.55) HTR1AHTR1DHTR1BL3MBTL1SMN1; SMN2
SCHEMBL6717656 0.79 HTR1A (0.64) HTR1AHTR1DHTR1BTRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343796-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-01-12 — — EP disclosed
EP-1343796-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-09-17 — — EP disclosed
WO-2002034760-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-02 — — WO disclosed
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