SCHEMBL5205825

SCHEMBL5205825

COC(=O)Oc1ccc2[nH]cc(CCCCN3CCN(c4cc(=O)oc5ccccc45)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
ADRA1D P25100 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53

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
SCHEMBL5203086 0.92 HTR1A (0.51) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL5201347 0.92 ADRA2A (0.59) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL7788871 0.91 HTR1A (0.65) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL5233203 0.91 ADRA2A (0.51) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL5202823 0.90 HTR1A (0.54) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL5203035 0.90 HTR1A (0.51) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL7787588 0.88 SLC6A4 (0.56) HTR1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL8145481 0.88 ADRA2A (0.55) HTR1ADRD2HTR2AADRA2AADRA2B
SCHEMBL8140840 0.88 HTR1A (0.54) HTR1ADRD2ADRA2AADRA2BADRA2C
SCHEMBL7787590 0.88 HTR1A (0.54) HTR1ADRD2HTR2AADRA2AADRA2B

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-0998474-B1 PIPERAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-07 EP disclosed