SCHEMBL8558891

SCHEMBL8558891

Fc1ccc2c(C3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)c[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.71
HTR1A P08908 6/20 0.71
SLC6A4 P31645 4/20 0.71
KCNH2 Q12809 2/20 0.71
HTR7 P34969 2/20 0.71
MPO P05164 4/20 0.68
DRD2 P14416 1/20 0.67
ADRA1B P35368 1/20 0.64
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
SCHEMBL8557344 0.95 HTR1A (0.76) ADRA1DHTR1ASLC6A4KCNH2HTR7
SCHEMBL8557097 0.91 HTR1A (0.70) ADRA1DHTR1ASLC6A4KCNH2HTR7
SCHEMBL8557700 0.88 MPO (0.71) ADRA1DHTR1ASLC6A4KCNH2HTR7
SCHEMBL8554029 0.85 HTR1A (0.70) HTR1ASLC6A4KCNH2HTR7MPO
SCHEMBL8877539 0.83 ADRA1D (0.79) ADRA1DHTR1ASLC6A4KCNH2HTR7
SCHEMBL8560715 0.83 HTR7 (0.64) HTR1ASLC6A4KCNH2HTR7MPO
SCHEMBL8871262 0.82 HTR1A (0.67) HTR1ASLC6A4KCNH2HTR7MPO
Hydrochloric Acid SCHEMBL7823788 0.82 ADRA1D (1.00) ADRA1DHTR1ASLC6A4KCNH2HTR7
SCHEMBL7256770 0.82 ADRA1D (0.77) ADRA1DHTR1ASLC6A4KCNH2HTR7
SCHEMBL25344822 0.82 HTR1A (0.66) ADRA1DHTR1ASLC6A4HTR7DRD2

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