SCHEMBL8917881

SCHEMBL8917881

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
DRD2 P14416 16/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2A P28223 15/20 0.37
DRD3 P35462 15/20 0.37
MCHR1 Q99705 3/20 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
SCHEMBL8916420 0.94 CTSS (0.41) CTSSDRD2SLC6A4HTR2ADRD3
SCHEMBL8916768 0.92 CTSS (0.40) CTSSDRD2SLC6A4HTR2ADRD3
Hydrochloric Acid SCHEMBL8917167 0.92 CTSS (0.40) CTSSDRD2SLC6A4HTR2ADRD3
SCHEMBL8916164 0.92 CTSS (0.48) CTSSDRD2SLC6A4HTR2ADRD3
Hydrochloric Acid SCHEMBL8918060 0.91 CTSS (0.48) CTSSDRD2SLC6A4HTR2ADRD3
SCHEMBL8920505 0.90 CTSS (0.39) CTSSDRD2SLC6A4HTR2ADRD3
SCHEMBL8919111 0.90 DRD2 (0.51) DRD2SLC6A4HTR2ADRD3
SCHEMBL8916977 0.89 CTSS (0.37) CTSSDRD2SLC6A4HTR2ADRD3
SCHEMBL8916989 0.88 DRD2 (0.38) CTSSDRD2SLC6A4HTR2ADRD3
SCHEMBL8917007 0.87 CTSS (0.46) CTSSDRD2SLC6A4HTR2ADRD3

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