SCHEMBL11547458

SCHEMBL11547458

CCCCOC(=O)NCCc1cc[c]nc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL11197065 0.87 KMT2A (0.55) GLAKMT2AHRH4HRH3
SCHEMBL7666089 0.83 ACHE (0.54) ACHEGLAKMT2A
SCHEMBL11546885 0.83 KMT2A (0.41) GLAKMT2A
SCHEMBL5110887 0.77 NPC1 (0.63) ACHEGLAKMT2A
SCHEMBL11550474 0.77 KDM4E (0.51)
SCHEMBL4769744 0.76 KMT2A (0.57) ACHEGLAKMT2A
SCHEMBL21382248 0.76 KMT2A (0.57) ACHEGLAKMT2AHRH4HRH3
SCHEMBL8585756 0.75 KMT2A (0.56) ACHEGLAKMT2A
SCHEMBL8803375 0.74 CNR2 (0.53) ACHEGLAKMT2A
SCHEMBL27887140 0.74 KMT2A (0.55) ACHEGLAKMT2A

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-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed