SCHEMBL8554305

SCHEMBL8554305

NC(=O)c1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5ccc(C(N)=O)cc45)CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.70
ADRA2A P08913 2/20 0.58
ADRA2B P18089 2/20 0.58
ADRA2C P18825 2/20 0.58
ADRA1D P25100 2/20 0.58
ADRA1A P35348 2/20 0.58
ADRA1B P35368 2/20 0.58
HTR1D P28221 5/20 0.55
HTR1B P28222 4/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
HTR1A P08908 1/20 0.55
TSHR P16473 1/20 0.55
HTR2C P28335 1/20 0.55
HTR5A P47898 1/20 0.55
HTR6 P50406 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRM2 P08172 1/20 0.55
DRD2 P14416 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
SCHEMBL8554971 0.97 HTR7 (0.66) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8556927 0.96 HTR7 (0.68) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8557457 0.94 HTR7 (0.65) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8560920 0.93 HTR7 (0.65) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8556222 0.93 HTR7 (0.62) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8553965 0.92 HTR7 (0.61) HTR7HTR1AHTR6
SCHEMBL8555865 0.92 HTR7 (0.61) HTR7HTR1AHTR6
SCHEMBL8559215 0.92 ADRA2A (0.66) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8554721 0.92 ADRA2A (0.66) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8554876 0.91 HTR7 (0.60) HTR7ADRA2AADRA2BADRA2CADRA1D

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

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