SCHEMBL8558340

SCHEMBL8558340

COc1ccc2[nH]cc(C3CCN(CCCCc4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.60
SLC6A4 P31645 3/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
DRD2 P14416 1/20 0.59
HTR2A P28223 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59

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
SCHEMBL8559489 1.00 HTR1A (0.60) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8557415 0.97 HTR1A (0.64) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8555729 0.97 HTR1A (0.64) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8557350 0.95 HTR1A (0.55) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8558852 0.92 ADRA2A (0.70) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8553791 0.92 HTR1A (0.59) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8557273 0.92 HTR1A (0.56) HTR1ASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL8557793 0.92 KDM4E (0.59) DRD2HTR7
SCHEMBL8557795 0.91 KDM4E (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8552991 0.91 HTR1A (0.72) HTR1ASLC6A4ADRA2AADRA2BADRA2C

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