SCHEMBL13655453

SCHEMBL13655453

CCCN(C)CC(C)NC

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL25799051 1.00 PIK3CD (0.32) PIK3CDHDAC4HDAC1HDAC6KDM5A
SCHEMBL25772209 1.00 PIK3CD (0.32) PIK3CDHDAC4HDAC1HDAC6KDM5A
SCHEMBL29928488 0.82 TAAR1 (0.37)
SCHEMBL23958404 0.81 CA12 (0.46) PIK3CD
SCHEMBL9599387 0.80
SCHEMBL19228778 0.78 ALDH1A1 (0.31)
SCHEMBL19943686 0.77 SIGMAR1 (0.37) PIK3CDHDAC4HDAC1HDAC6
SCHEMBL17540570 0.75
SCHEMBL11231368 0.75 PIK3CD (0.39) PIK3CD
SCHEMBL16168150 0.74 HDAC4 (0.33) HDAC4HDAC1HDAC6

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
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP disclosed