SCHEMBL8918749

SCHEMBL8918749

Cc1ccc2c(N3CCN(CCc4cc5c(s4)CCCC(=O)N5)CC3)coc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.37
DRD2 P14416 8/20 0.37
HTR2A P28223 7/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 9/20 0.37
HTR1D P28221 8/20 0.37
HTR1B P28222 8/20 0.37
KCNH2 Q12809 5/20 0.37
ADRA1B P35368 2/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA1A P35348 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
SCHEMBL8920638 0.93 TSHR (0.38) HTR1ADRD2HTR2AMEN1TSHR
SCHEMBL8919178 0.90 HTR1A (0.41) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8917179 0.84 DRD2 (0.40) HTR1ADRD2HTR2AMEN1TSHR
SCHEMBL8916899 0.84 HTR1A (0.41) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8916916 0.84 HTR2A (0.42) HTR1ADRD2HTR2ADRD4
SCHEMBL8917721 0.83 HTR1A (0.40) HTR1ADRD2HTR2AMEN1TSHR
SCHEMBL8917225 0.83 HTR1A (0.39) HTR1ADRD2HTR2AMEN1TSHR
SCHEMBL8916905 0.82 MAPT (0.48) HTR1ADRD2HTR2ASLC6A4
SCHEMBL8917224 0.80 HTR1A (0.42) HTR1ADRD2HTR2ASLC6A4HTR1D
SCHEMBL8919037 0.80 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