SCHEMBL5351194

SCHEMBL5351194

CC(C)Oc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3COCCO3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.56
OPRM1 P35372 3/20 0.46
TMEM97 Q5BJF2 2/20 0.45

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 0.91 OPRM1 (0.50) HTR2AOPRM1TMEM97
SCHEMBL5354436 0.90 HTR2A (0.55) HTR2AOPRM1TMEM97
SCHEMBL5353321 0.88 OPRM1 (0.49) HTR2AOPRM1TMEM97
SCHEMBL341090 0.87 HTR2A (0.59) HTR2AOPRM1TMEM97
SCHEMBL341115 0.85 HTR2A (0.61) HTR2AOPRM1TMEM97
Oxalic Acid SCHEMBL10321244 0.85 HTR2A (0.57) HTR2AOPRM1TMEM97
Hydrochloric Acid SCHEMBL10322168 0.84 HTR2A (0.60) HTR2AOPRM1TMEM97
SCHEMBL5471848 0.83 OPRM1 (0.44) HTR2AOPRM1TMEM97
SCHEMBL342314 0.82 HTR2A (0.54) HTR2AOPRM1
SCHEMBL342383 0.82 HTR2A (0.79) HTR2A

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