SCHEMBL8916164

SCHEMBL8916164

CCc1c(CCN2CCC(c3coc4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.48
DRD2 P14416 9/20 0.39
HTR2A P28223 9/20 0.39
DRD3 P35462 5/20 0.39
SLC6A4 P31645 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTR7 P34969 4/20 0.37
KCNH2 Q12809 3/20 0.36
RBP4 P02753 2/20 0.36
MCHR1 Q99705 2/20 0.36

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
Hydrochloric Acid SCHEMBL8918060 0.99 CTSS (0.48) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8917007 0.95 CTSS (0.46) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8916924 0.94 CTSS (0.45) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8920342 0.93 CTSS (0.49) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8917881 0.92 CTSS (0.40) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8916768 0.92 CTSS (0.40) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8917167 0.91 CTSS (0.40) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8920505 0.90 CTSS (0.39) CTSSDRD2HTR2ADRD3SLC6A4
Hydrochloric Acid SCHEMBL8920393 0.89 CTSS (0.48) CTSSDRD2HTR2ADRD3SLC6A4
SCHEMBL8919111 0.89 DRD2 (0.51) DRD2HTR2ADRD3SLC6A4

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
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