SCHEMBL8916598

SCHEMBL8916598

CCc1c(CCN2CCN(c3coc4c(F)cccc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 7/20 0.36
GAA P10253 1/20 0.35
BRD3 Q15059 3/20 0.34
HTR3A P46098 2/20 0.34
HTR1A P08908 1/20 0.32
POLB P06746 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
SCHEMBL8915761 0.91 MAPT (0.39) TP53THRBMAPTGAABRD3
SCHEMBL8916431 0.88 TP53 (0.38) TP53THRBMAPTGAABRD3
SCHEMBL8917290 0.87 TP53 (0.36) TP53THRBMAPTGAAHTR3A
SCHEMBL8918059 0.84 MAPT (0.37) TP53THRBMAPTGAABRD3
SCHEMBL8916688 0.84 MAPT (0.37) TP53THRBMAPTGAABRD3
SCHEMBL8920013 0.82 TP53 (0.39) TP53THRBMAPTGAABRD3
SCHEMBL8919144 0.82 TP53 (0.38) TP53THRBMAPTGAAHTR3A
SCHEMBL8917921 0.82 MAPT (0.37) TP53THRBMAPTBRD3HTR3A
SCHEMBL8917688 0.82 MAPT (0.37) TP53MAPTBRD3HTR3APOLB
SCHEMBL8918541 0.79 TP53 (0.38) TP53THRBMAPTGAAHTR3A

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