SCHEMBL30478166

SCHEMBL30478166

Cc1nc(C#N)ccc1C(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
KDM1A O60341 2/20 0.43
SCN7A Q01118 2/20 0.43
KCNH2 Q12809 2/20 0.43
SCN9A Q15858 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
NTRK1 P04629 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40

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
SCHEMBL30478201 0.80 HTR2A (0.40) JAK2PAK4HTR2C
SCHEMBL30478195 0.78 RORC (0.42) KDM1ARORC
SCHEMBL4714732 0.76 GRM5 (0.47) HRH4
SCHEMBL25879157 0.75 PIM1 (0.43) RXFP1KDM1ASCN7AKCNH2SCN9A
SCHEMBL30496194 0.75 EGLN1 (0.45) RXFP1KDM1ASCN7AKCNH2SCN9A
SCHEMBL17712927 0.73 GABRP (0.55) RXFP1HPGD
SCHEMBL28812724 0.70 RXFP1 (0.60) RXFP1SIGMAR1PARP1HRH4HSP90AA1
SCHEMBL23226743 0.69 KDM1A (0.47) RXFP1KDM1ASCN7AKCNH2SCN9A
SCHEMBL851706 0.69 SCN7A (0.55) KDM1ASCN7AKCNH2SCN9AHRH3
SCHEMBL3510730 0.69 GAA (0.54) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 EP claimed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO claimed
EP-4452984-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF Molecure S.A. (PL) 2024-10-30 EP disclosed
WO-2023119233-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-06-29 WO disclosed