SCHEMBL14228963

SCHEMBL14228963

CCCCN(c1ncncc1CCC)C(CCC)CCC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL14229391 0.94 FDPS (0.31) HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL14229046 0.88 HTT (0.30) HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL14200676 0.85 — —
SCHEMBL14200698 0.83 — —
SCHEMBL14229383 0.82 HTT (0.30) HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL14229050 0.79 HTT (0.44) HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL14228956 0.77 HTT (0.42) HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL14230222 0.74 PDK1 (0.31) —
SCHEMBL14200697 0.74 — —
SCHEMBL14229052 0.73 HTT (0.44) HTTNCOA1SMN1; SMN2NCOA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 — — US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 — — US disclosed
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