SCHEMBL8554922

SCHEMBL8554922

c1ccc2c(CCCN3CCC(c4c[nH]c5ccccc45)CC3)c[nH]c2c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.73
HTR1A P08908 1/20 0.73
SLC6A4 P31645 1/20 0.70

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
SCHEMBL8556391 0.96 ADRA1D (0.74) ADRA1DHTR1ASLC6A4
SCHEMBL8559411 0.89 HTR1A (0.61) ADRA1DHTR1ASLC6A4
Hydrochloric Acid SCHEMBL7259157 0.88 ADRA1D (0.90) ADRA1DSLC6A4
SCHEMBL9151967 0.87 ADRA1D (0.62) ADRA1DHTR1ASLC6A4
SCHEMBL14306777 0.87 ADRA1D (0.80) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL9032172 0.86 ADRA1D (0.74) ADRA1DSLC6A4
SCHEMBL8558005 0.86 HTR1A (0.77) HTR1ASLC6A4
SCHEMBL8554480 0.86 HTR1A (0.77) ADRA1DHTR1ASLC6A4
SCHEMBL8556970 0.86 ADRA1D (0.60) ADRA1DHTR1ASLC6A4
SCHEMBL8558927 0.86 ADRA1D (0.63) ADRA1DHTR1ASLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed