SCHEMBL25855899

SCHEMBL25855899

CN1CCCCCN(C2CCN(C3CCN(C)CC3)CC2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 6/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MBTD1 Q05BQ5 4/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL23269642 0.95 L3MBTL3 (0.50) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL8442460 0.93 L3MBTL3 (0.51) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL8442929 0.93 L3MBTL3 (0.51) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL106520 0.93 L3MBTL3 (0.51) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL17695417 0.91 ALDH1A1 (0.50) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL23269638 0.91 L3MBTL3 (0.47) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6601123 0.91 ALDH1A1 (0.53) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL23123299 0.91 ALDH1A1 (0.53) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19
SCHEMBL4400116 0.91 ALDH1A1 (0.52) L3MBTL3L3MBTL1ALDH1A1MBTD1KDM4E
SCHEMBL107233 0.91 L3MBTL3 (0.53) L3MBTL3L3MBTL1ALDH1A1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed