SCHEMBL25969706

SCHEMBL25969706

Cc1ccc(N2CCC(COc3ccc(Cl)c4c3OCC(=O)N4)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 11/20 0.43
HTR1A P08908 6/20 0.38
HTR1D P28221 6/20 0.38
HTR1B P28222 6/20 0.38
DRD3 P35462 5/20 0.38
HTR7 P34969 4/20 0.38
DRD2 P14416 4/20 0.38
ADRB1 P08588 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
SLC6A9 P48067 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR6 P50406 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL25969717 0.91 MGLL (0.44) MGLLHTR1AHTR1DHTR1BDRD3
SCHEMBL20612928 0.90 MGLL (0.43) MGLLHTR1AHTR1DHTR1BDRD3
SCHEMBL25969105 0.89 MGLL (0.44) MGLLHTR1AHTR1DHTR1BDRD3
SCHEMBL25969805 0.80 MGLL (0.38) MGLLHTR1AHTR1DHTR1BDRD3
SCHEMBL20612870 0.77 MGLL (0.41) MGLLDRD2SLC6A9
SCHEMBL20613102 0.76 TRPV4 (0.40) MGLLSLC6A9
SCHEMBL25967008 0.75 EGFR (0.39) MGLLSLC6A9
SCHEMBL25969246 0.75 MGLL (0.39) MGLLSLC6A9
SCHEMBL25968327 0.72 SLC6A9 (0.41) HTR1DADRB1SLC6A9
SCHEMBL20714043 0.72 TRPV4 (0.34) MGLLHTR1AHTR1DHTR1BDRD3

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-3421454-B9 PIPERIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2023-08-09 EP disclosed