SCHEMBL8916788

SCHEMBL8916788

CCc1c(CCN2CCC(c3c(C)sc4cc(F)ccc34)CC2)sc2c1CN(C(C)=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.42
MCHR1 Q99705 3/20 0.36
CCR3 P51677 6/20 0.36
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL8919136 0.94 CTSS (0.40) CTSSMCHR1CCR3HTR2AHTR7
SCHEMBL8917047 0.93 CTSS (0.42) CTSSMCHR1CCR3HTR2AHTR7
SCHEMBL8916920 0.87 CTSS (0.41) CTSSMCHR1CCR3HTR2AHTR7
SCHEMBL8916713 0.86 SLC6A4 (0.39) CTSSMCHR1CCR3HTR2AHTR7
SCHEMBL8917540 0.85 HTR1D (0.49) CTSSMCHR1HTR2AHTR7KCNH2
Oxalic Acid SCHEMBL8991806 0.85 CTSS (0.40) CTSSMCHR1CCR3HTR2AHTR7
Oxalic Acid SCHEMBL8919091 0.84 CTSS (0.43) CTSSMCHR1CCR3
Hydrochloric Acid SCHEMBL8920342 0.82 CTSS (0.49) CTSSMCHR1HTR2AHTR7KCNH2
SCHEMBL8917101 0.82 DRD2 (0.54) HTR2AHTR7KCNH2
SCHEMBL8916743 0.80 HTR2A (0.51) HTR2AHTR7KCNH2

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