SCHEMBL8917540

SCHEMBL8917540

CCc1c(CCN2CCC(c3nsc4cc(F)ccc34)CC2)sc2c1CN(C(C)=O)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
CTSS P25774 2/20 0.38
HTR2A P28223 7/20 0.37
HTR7 P34969 7/20 0.37
DRD2 P14416 7/20 0.37
GRM4 Q14833 3/20 0.37
CYP1A2 P05177 1/20 0.37
KCNH2 Q12809 6/20 0.36
BAZ2B Q9UIF8 1/20 0.36
MCHR1 Q99705 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC22A2 O15244 1/20 0.35
CACNA1F O60840 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL8918401 0.94 HTR1D (0.49) HTR1DHTR1BCTSSHTR2AHTR7
SCHEMBL8917047 0.86 CTSS (0.42) HTR1DHTR1BCTSSHTR2AHTR7
SCHEMBL8917101 0.86 DRD2 (0.54) HTR2AHTR7DRD2KCNH2SLC6A4
SCHEMBL8916788 0.85 CTSS (0.42) HTR1DHTR1BCTSSHTR2AHTR7
SCHEMBL8916713 0.85 SLC6A4 (0.39) HTR1BCTSSHTR2AHTR7DRD2
SCHEMBL8916743 0.84 HTR2A (0.51) HTR2AHTR7DRD2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL8920342 0.81 CTSS (0.49) HTR1DHTR1BCTSSHTR2AHTR7
SCHEMBL8916920 0.80 CTSS (0.41) CTSSHTR2AHTR7DRD2KCNH2
SCHEMBL8918089 0.80 DRD2 (0.54) HTR2AHTR7DRD2KCNH2SLC6A4
Hydrochloric Acid SCHEMBL8917305 0.79 ACHE (0.36) HTR1DHTR1BCTSSHTR2AHTR7

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