SCHEMBL8917225

SCHEMBL8917225

Cc1cccc2occ(N3CCN(CCc4cc5c(s4)CCCC(=O)N5)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 0.39
DRD2 P14416 10/20 0.39
HTR2A P28223 8/20 0.39
SLC6A4 P31645 7/20 0.38
HTR1D P28221 6/20 0.38
HTR1B P28222 6/20 0.38
KCNH2 Q12809 3/20 0.38
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HTR7 P34969 1/20 0.35

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
SCHEMBL8917224 0.90 HTR1A (0.42) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8917721 0.86 HTR1A (0.40) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8918187 0.85 DRD2 (0.39) HTR1ADRD2HTR2ASLC6A4MEN1
SCHEMBL8917989 0.84 DRD2 (0.42) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8920638 0.83 TSHR (0.38) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8918749 0.83 HTR1A (0.37) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8916474 0.81 HTR1A (0.41) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8916899 0.80 HTR1A (0.41) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8919178 0.80 HTR1A (0.41) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8919037 0.79 HTR1A (0.44) HTR1ADRD2HTR2ASLC6A4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US claimed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed