SCHEMBL25922002

SCHEMBL25922002

CCCCC(CCC)N1CCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
FDPS P14324 1/20 0.32
DNM1 Q05193 2/20 0.32
SLC6A3 Q01959 9/20 0.32
SLC6A2 P23975 7/20 0.32
SLC6A4 P31645 4/20 0.31
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL25922001 1.00 HRH3 (0.37) HRH3FDPSDNM1SLC6A3SLC6A2
SCHEMBL14160126 0.95 HRH3 (0.40) HRH3FDPSDNM1SLC6A3SLC6A2
SCHEMBL14204509 0.93 HRH3 (0.42) HRH3SLC6A3SLC6A2SLC6A4SIGMAR1
SCHEMBL24869964 0.93 HRH3 (0.42) HRH3SLC6A3SLC6A2SLC6A4SIGMAR1
SCHEMBL21164045 0.93 HRH3 (0.42) HRH3SLC6A3SLC6A2SLC6A4SIGMAR1
SCHEMBL22701318 0.91 SLC6A3 (0.35) HRH3SLC6A3SLC6A2SLC6A4
SCHEMBL27953379 0.89 HRH3 (0.36) HRH3FDPSSLC6A3SLC6A2SLC6A4
SCHEMBL13609978 0.88 HRH3 (0.45) HRH3FDPSDNM1SLC6A3SLC6A2
SCHEMBL2537074 0.88 OPRM1 (0.37) HRH3FDPSDNM1MAPT
SCHEMBL3261995 0.87 HRH3 (0.38) HRH3FDPSSLC6A3SLC6A2SLC6A4

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
WO-2023142754-A1 EZH1/2 INHIBITOR, PREPARATION THEREOF, AND USE THEREOF IN ANTI-TUMOR THERAPY 江苏天士力帝益药业有限公司 2023-08-03 WO disclosed