SCHEMBL5331019

SCHEMBL5331019

COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCC3COCCO3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
TMEM97 Q5BJF2 2/20 0.47
HTR2A P28223 11/20 0.46
CCR5 P51681 2/20 0.44

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
SCHEMBL5354436 0.93 HTR2A (0.55) OPRM1TMEM97HTR2ACCR5
SCHEMBL5351194 0.91 HTR2A (0.56) OPRM1TMEM97HTR2A
SCHEMBL5353321 0.91 OPRM1 (0.49) OPRM1TMEM97HTR2ACCR5
SCHEMBL341353 0.86 OPRM1 (0.53) OPRM1TMEM97HTR2ACCR5
SCHEMBL5471848 0.85 OPRM1 (0.44) OPRM1TMEM97HTR2ACCR5
SCHEMBL339715 0.82 HTR2A (0.56) OPRM1HTR2ACCR5
Cadaverine Tartrate SCHEMBL10322794 0.81 OPRM1 (0.50) OPRM1TMEM97HTR2ACCR5
SCHEMBL342474 0.81 HTR2A (0.64) OPRM1HTR2A
SCHEMBL1644855 0.81 HTR2A (0.64) OPRM1HTR2A
SCHEMBL340689 0.81 HTR2A (0.64) OPRM1HTR2A

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