SCHEMBL22872255

SCHEMBL22872255

CCC(=O)CNCC(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 5/20 0.36
KCNH2 Q12809 4/20 0.35
CACNA1B Q00975 3/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL22415486 0.83 TDP1 (0.36) TDP1
SCHEMBL2735586 0.83 TDP1 (0.56) TDP1ALDH1A1GAA
SCHEMBL8267056 0.78
SCHEMBL21974896 0.76 ALDH1A1 (0.36) TDP1ALDH1A1CYP2D6KCNH2CACNA1B
SCHEMBL10606032 0.75 TDP1 (0.47) TDP1ALDH1A1GAA
SCHEMBL24104595 0.74 ALDH1A1 (0.44) ALDH1A1CYP2D6KCNH2CACNA1BGAA
SCHEMBL12707168 0.73 TDP1 (0.45) TDP1ALDH1A1GAA
SCHEMBL14536188 0.73 TDP1 (0.45) TDP1ALDH1A1CYP2D6
SCHEMBL14890651 0.73 TDP1 (0.45) TDP1ALDH1A1GAA
SCHEMBL12035873 0.72

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
EP-2906245-B1 DIAGNOSIS, PREVENTION AND TREATMENT OF DISEASES OF THE JOINT ASCENDIS PHARMA AS (DK) 2021-01-13 EP disclosed