SCHEMBL30969280

SCHEMBL30969280

NC(=O)c1ccc(NCCCN2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.53
KDM4E B2RXH2 1/20 0.47
CHRNA7 P36544 1/20 0.47
KCNH2 Q12809 1/20 0.47
NAMPT P43490 1/20 0.46
BACE1 P56817 1/20 0.45
PRSS1 P07477 4/20 0.45
CACNA1B Q00975 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 2/20 0.44
HTR3A P46098 1/20 0.44
EPHX2 P34913 1/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 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
SCHEMBL6154983 0.91 TNIK (0.49) HTR7KDM4EHRH3EPHX2
SCHEMBL30969317 0.90 TNIK (0.51) KDM4EEPHX2
SCHEMBL3234486 0.87 KDM4E (0.61) HTR7KDM4ENAMPTMAPT
SCHEMBL4620651 0.82 HRH3 (0.64) HTR7KDM4EPRSS1HRH3F2
SCHEMBL4786207 0.81 EPHX2 (0.61) CHRNA7KCNH2NAMPTHRH3MAPT
SCHEMBL3988708 0.80 BACE1 (0.50) BACE1CACNA1BHRH3
SCHEMBL30969324 0.79 HDAC6 (0.52) HTR7KDM4ENAMPTMAPT
Oxalic Acid SCHEMBL4564705 0.79 HRH3 (0.60) HTR7KDM4EPRSS1CACNA1BHRH3
SCHEMBL4622234 0.79 HRH3 (0.62) HTR7PRSS1HRH3F2PRSS2
Hydrochloric Acid SCHEMBL4808510 0.78 BACE1 (0.49) BACE1CACNA1BHRH3

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