SCHEMBL30969236

SCHEMBL30969236

CCN(CC)CCOc1ccc(C(N)=O)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.56
CHEK2 O96017 1/20 0.49
MAPT P10636 1/20 0.48
CYP2D6 P10635 3/20 0.47
HRH3 Q9Y5N1 3/20 0.47
MAOA P21397 2/20 0.47
TSHR P16473 2/20 0.47
HTR3A P46098 1/20 0.47
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
EBP Q15125 1/20 0.46
SCN1A P35498 3/20 0.45
SCN2A Q99250 3/20 0.45
SCN3A Q9NY46 3/20 0.45
LMNA P02545 2/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CYP1A2 P05177 2/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL21770762 0.83 SCN1A (0.56) MAPTCYP2D6HRH3MAOATSHR
SCHEMBL11546206 0.81 OPRM1 (0.52) NNMTCHEK2KCNH2SLC6A2SLC6A3
SCHEMBL1680864 0.81 NNMT (0.61) NNMTCHEK2MAPTTSHRLMNA
SCHEMBL2817347 0.80 MAPT (0.72) NNMTMAPTTSHRMKNK1MKNK2
SCHEMBL6953681 0.79 NNMT (0.59) NNMTMAPTTSHRLMNAMKNK1
SCHEMBL6812378 0.79 EBP (0.67) MAPTCYP2D6HRH3NPSR1SIGMAR1
SCHEMBL29585645 0.79 NNMT (0.68) NNMTCHEK2MAPTMKNK1MKNK2
SCHEMBL23834721 0.79 NNMT (0.62) NNMTCHEK2MAPTMKNK1MKNK2
SCHEMBL11551255 0.79 NNMT (0.62) NNMTCHEK2MAPTMKNK1MKNK2
Hydrochloric Acid SCHEMBL5010367 0.79 MAPT (0.70) NNMTMAPTTSHRMKNK1MKNK2

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
EP-4642766-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-11-05 EP disclosed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO disclosed