SCHEMBL8917985

SCHEMBL8917985

CCc1c(CCN2CCC(c3coc4cc(OC)ccc34)CC2)sc2c1CN(C(C)=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.40
DRD2 P14416 11/20 0.37
SLC6A4 P31645 1/20 0.37
MCHR1 Q99705 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
DRD3 P35462 10/20 0.36
HTR2A P28223 9/20 0.36
DRD4 P21917 2/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL8920505 0.94 CTSS (0.39) CTSSDRD2SLC6A4MCHR1DRD3
SCHEMBL8916420 0.90 CTSS (0.41) CTSSDRD2SLC6A4MCHR1DRD3
Hydrochloric Acid SCHEMBL8920342 0.89 CTSS (0.49) CTSSDRD2SLC6A4MCHR1DRD3
SCHEMBL8916768 0.84 CTSS (0.40) CTSSDRD2SLC6A4MCHR1DRD3
SCHEMBL8917881 0.84 CTSS (0.40) CTSSDRD2SLC6A4MCHR1DRD3
Hydrochloric Acid SCHEMBL8917167 0.84 CTSS (0.40) CTSSDRD2SLC6A4MCHR1DRD3
SCHEMBL8916164 0.84 CTSS (0.48) CTSSDRD2SLC6A4MCHR1DRD3
Hydrochloric Acid SCHEMBL8918060 0.83 CTSS (0.48) CTSSDRD2SLC6A4MCHR1DRD3
SCHEMBL8919111 0.82 DRD2 (0.51) DRD2SLC6A4DRD3HTR2A
SCHEMBL8916977 0.81 CTSS (0.37) CTSSDRD2SLC6A4MCHR1DRD3

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