SCHEMBL8916916

SCHEMBL8916916

Cc1ccc2c(N3CCN(CCc4cc5c(s4)CCCC(=O)N5)CC3)csc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.42
DRD2 P14416 13/20 0.42
HTR1A P08908 12/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
DRD4 P21917 2/20 0.41
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL8916905 0.93 MAPT (0.48) HTR2ADRD2HTR1AMAPTTP53
SCHEMBL8916967 0.90 HTR2A (0.50) HTR2ADRD2HTR1AMAPTDRD4
SCHEMBL8917203 0.84 DRD2 (0.42) HTR2ADRD2HTR1ADRD4
SCHEMBL8918749 0.84 HTR1A (0.37) HTR2ADRD2HTR1ADRD4
SCHEMBL8920388 0.84 MAPT (0.47) HTR2ADRD2HTR1AMAPTTP53
SCHEMBL8916474 0.83 HTR1A (0.41) HTR2ADRD2HTR1A
SCHEMBL8917989 0.83 DRD2 (0.42) HTR2ADRD2HTR1A
SCHEMBL8920638 0.82 TSHR (0.38) HTR2ADRD2HTR1ADRD4
SCHEMBL8918317 0.80 HTR1A (0.46) HTR2ADRD2HTR1A
SCHEMBL8919069 0.80 HTR1A (0.44) HTR2ADRD2HTR1A

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