SCHEMBL23634802

SCHEMBL23634802

CS(=O)(=O)N1CCN(CCCOI)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.46
HRH1 P35367 2/20 0.46
HRH3 Q9Y5N1 4/20 0.44
KDM1A O60341 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 1/20 0.37
EPHX2 P34913 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR4 Q13639 2/20 0.33

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
SCHEMBL84801 0.84 ALDH1A1 (0.51) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL8221324 0.82 ALDH1A1 (0.48) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL1100792 0.81 KDM1A (0.43) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL4508386 0.79 KDM1A (0.42) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL12793973 0.79 HRH2 (0.47) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL14670865 0.77 PTGS2 (0.54) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL14041545 0.77 HRH3 (0.45) HRH3KDM4EALDH1A1
SCHEMBL1098206 0.77 KDM1A (0.45) HRH2HRH1KDM1AKDM4EALDH1A1
SCHEMBL15295188 0.76 HRH2 (0.44) HRH2HRH1HRH3KDM1AKDM4E
SCHEMBL12137190 0.76 ALDH1A1 (0.49) HRH2HRH1HRH3KDM1AKDM4E

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-3848363-A1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND Medshine Discovery Inc. (CN) 2021-07-14 EP disclosed