SCHEMBL8555534

SCHEMBL8555534

COC(=O)c1ccc2[nH]cc(CCCCN3CCC(c4c[nH]c5ccccc45)CC3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.59
CCR2 P41597 3/20 0.56
GPR84 Q9NQS5 1/20 0.56
ADRA1D P25100 1/20 0.55

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
SCHEMBL8871803 0.95 HTR1A (0.58) HTR1AADRA1D
SCHEMBL8870158 0.92 HTR7 (0.55) HTR1A
SCHEMBL27431034 0.91 HTR1A (0.57) HTR1A
SCHEMBL8553950 0.90 ADRA2A (0.61) HTR1AADRA1D
SCHEMBL8553791 0.90 HTR1A (0.59) HTR1ACCR2ADRA1D
SCHEMBL8556222 0.88 HTR7 (0.62) HTR1AADRA1D
SCHEMBL8555410 0.88 HTR1A (0.52) HTR1AADRA1D
SCHEMBL8871079 0.87 HTR1A (0.63) HTR1ACCR2ADRA1D
SCHEMBL8554898 0.87 HTR1A (0.63) HTR1ACCR2ADRA1D
SCHEMBL8871176 0.86 HTR1A (0.56) HTR1AGPR84ADRA1D

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-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed