SCHEMBL8560920

SCHEMBL8560920

NC(=O)c1ccc2[nH]cc(C3CCN(CCCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.65
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
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
APEX1 P27695 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 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
SCHEMBL8556927 0.97 HTR7 (0.68) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8554971 0.96 HTR7 (0.66) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8557793 0.95 KDM4E (0.59) HTR7KDM4EALOX15APEX1KMT2A
SCHEMBL8554305 0.93 HTR7 (0.70) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8554831 0.92 HTR7 (0.61) HTR7KDM4EALOX15APEX1KMT2A
SCHEMBL8560715 0.90 HTR7 (0.64) HTR7
SCHEMBL8553950 0.89 ADRA2A (0.61) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8558852 0.89 ADRA2A (0.70) HTR7ADRA2AADRA2BADRA2CADRA1D
SCHEMBL8558104 0.89 SLC6A4 (0.61) HTR7
SCHEMBL8560281 0.89 SLC6A4 (0.61) HTR7

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
CN-1047385-C 3-indolylpiperidine MERCK PATENT GMBH (DE) 1999-12-15 CN disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
CN-1114651-A 3-indolylpiperidine MERCK PATENT GMBH (DE) 1996-01-10 CN disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed