SCHEMBL8553950

SCHEMBL8553950

COC(=O)c1ccc2[nH]cc(CCCCN3CCC(c4c[nH]c5ccc(C(N)=O)cc45)CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.61
ADRA2B P18089 2/20 0.61
ADRA2C P18825 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
HTR7 P34969 1/20 0.59
HTR1A P08908 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
SCHEMBL8556222 0.97 HTR7 (0.62) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8871803 0.96 HTR1A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8870158 0.93 HTR7 (0.55) HTR7HTR1A
SCHEMBL8554971 0.93 HTR7 (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL27431034 0.92 HTR1A (0.57) HTR7HTR1A
SCHEMBL8558852 0.91 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8553791 0.91 HTR1A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8555534 0.90 HTR1A (0.59) ADRA1DHTR1A
SCHEMBL8554305 0.90 HTR7 (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8560920 0.89 HTR7 (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A

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