SCHEMBL5354436

SCHEMBL5354436

CCOc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3COCCO3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.55
OPRM1 P35372 4/20 0.49
TMEM97 Q5BJF2 2/20 0.49
CCR5 P51681 2/20 0.43

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
SCHEMBL5331019 0.93 OPRM1 (0.50) HTR2AOPRM1TMEM97CCR5
SCHEMBL5351194 0.90 HTR2A (0.56) HTR2AOPRM1TMEM97
SCHEMBL5353321 0.90 OPRM1 (0.49) HTR2AOPRM1TMEM97CCR5
SCHEMBL341230 0.86 HTR2A (0.58) HTR2AOPRM1TMEM97CCR5
SCHEMBL5471848 0.85 OPRM1 (0.44) HTR2AOPRM1TMEM97CCR5
Oxalic Acid SCHEMBL10322235 0.84 HTR2A (0.56) HTR2AOPRM1TMEM97CCR5
SCHEMBL341878 0.84 HTR2A (0.57) HTR2AOPRM1TMEM97CCR5
SCHEMBL340784 0.83 HTR2A (0.55) HTR2AOPRM1TMEM97
SCHEMBL340626 0.82 HTR2A (0.62) HTR2AOPRM1
SCHEMBL342280 0.81 HTR2A (0.78) HTR2AOPRM1

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-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed