SCHEMBL23635014

SCHEMBL23635014

CSN1CCN(CCOc2ccc3c(ccc4occ(C5CCC(=O)NC5=O)c43)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
NUAK1 O60285 1/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37
MAOB P27338 3/20 0.37
CRBN Q96SW2 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRKDC P78527 1/20 0.35

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
SCHEMBL23634899 0.92 SIGMAR1 (0.48) SIGMAR1NUAK1TSHRHRH3MAOB
SCHEMBL23634903 0.92 SIGMAR1 (0.48) SIGMAR1NUAK1TSHRHRH3MAOB
SCHEMBL23635043 0.92 SIGMAR1 (0.48) SIGMAR1NUAK1TSHRHRH3MAOB
SCHEMBL23918302 0.90 HRH3 (0.46) SIGMAR1NUAK1TSHRHRH3MAOB
SCHEMBL23635018 0.90 HRH3 (0.46) SIGMAR1NUAK1TSHRHRH3MAOB
SCHEMBL23635017 0.90 HRH3 (0.46) SIGMAR1NUAK1TSHRHRH3MAOB
SCHEMBL23634904 0.89 SIGMAR1 (0.48) SIGMAR1HRH3MAOBCRBNALDH1A1
SCHEMBL23634905 0.89 SIGMAR1 (0.48) SIGMAR1HRH3MAOBCRBNALDH1A1
SCHEMBL23635019 0.88 DDB1 (0.46) SIGMAR1CRBNKDM4EALDH1A1PRKDC
SCHEMBL23635016 0.88 DDB1 (0.46) SIGMAR1CRBNKDM4EALDH1A1PRKDC

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-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 EP disclosed
EP-3848363-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND Medshine Discovery Inc. (CN) 2021-07-14 EP disclosed