SCHEMBL8917921

SCHEMBL8917921

CCc1c(CCN2CCN(c3coc4cc(C)ccc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
TP53 P04637 4/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.33
HTR3A P46098 1/20 0.33
BRD3 Q15059 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.32
HTR1A P08908 2/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 1/20 0.32
BPTF Q12830 1/20 0.32

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
SCHEMBL8917688 0.94 MAPT (0.37) MAPTTP53MEN1KMT2AHTR3A
SCHEMBL8916688 0.91 MAPT (0.37) MAPTTP53MEN1KMT2AHTR3A
SCHEMBL8918059 0.87 MAPT (0.37) MAPTTP53MEN1KMT2AHTR3A
SCHEMBL8916768 0.86 CTSS (0.40) MAPTTP53MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8917167 0.85 CTSS (0.40) MAPTTP53MEN1KMT2APOLB
SCHEMBL8915765 0.85 MAPT (0.38) MAPTTP53MEN1KMT2AHTR3A
SCHEMBL8915761 0.84 MAPT (0.39) MAPTTP53HTR3ABRD3POLB
SCHEMBL8920013 0.84 TP53 (0.39) MAPTTP53HTR3ABRD3POLB
SCHEMBL8916455 0.83 MAPT (0.44) MAPTTP53MEN1KMT2APOLB
SCHEMBL8916431 0.82 TP53 (0.38) MAPTTP53HTR3ABRD3POLB

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