SCHEMBL25908381

SCHEMBL25908381

C=C(C)c1cc(OCCN2CCC3(CC2)C(=O)Nc2ccccc23)cc(F)c1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.41
HTR2A P28223 12/20 0.41
HTR7 P34969 12/20 0.41
HTR6 P50406 12/20 0.41
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
DRD2 P14416 2/20 0.34
SLC6A4 P31645 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
RXRA P19793 3/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 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
SCHEMBL25316295 0.90 HTR1A (0.47) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL25908768 0.87 ALK (0.38) DRD2SLC6A4ADRA1DADRA1AADRA1B
SCHEMBL30507195 0.79 HTR7 (0.42) HTR1AHTR2AHTR7HTR6DRD2
SCHEMBL25318634 0.79 HTR7 (0.42) HTR1AHTR2AHTR7HTR6DRD2
SCHEMBL25909333 0.79 IP6K1 (0.38) HTR1AHTR2AHTR7HTR6DRD2
SCHEMBL25317717 0.77 HTR1A (0.48) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL25317063 0.77 PGR (0.41) HTR1AHTR2AHTR7HTR6DRD2
SCHEMBL25910642 0.77 MET (0.32)
SCHEMBL25908442 0.76 HTR1A (0.43) HTR1AHTR2AHTR7HTR6OPRM1
SCHEMBL25315766 0.74 HRH3 (0.48) HTR1AHTR2AHTR7HTR6OPRM1

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-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed