SCHEMBL8919168

SCHEMBL8919168

CCc1c(CCN2CCN(c3csc4ccc(F)cc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.49
MAPT P10636 7/20 0.45
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
HTR7 P34969 1/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.36
BAZ2B Q9UIF8 1/20 0.36
THRB P10828 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL8916994 0.94 HTR2A (0.43) TP53MAPTHTR1AGAADRD4
SCHEMBL8916455 0.91 MAPT (0.44) TP53MAPTLMNABAZ2BTHRB
SCHEMBL8915765 0.86 MAPT (0.38) TP53MAPTLMNADRD4HTR2A
SCHEMBL8918059 0.85 MAPT (0.37) TP53MAPTGAALMNABAZ2B
SCHEMBL8919144 0.84 TP53 (0.38) TP53MAPTHTR1AGAATHRB
SCHEMBL8917290 0.84 TP53 (0.36) TP53MAPTHTR1AGAATHRB
SCHEMBL8916688 0.83 MAPT (0.37) TP53MAPTGAALMNAHTR7
SCHEMBL8916959 0.82 TP53 (0.39) TP53MAPTHTR1AGAAHTR2A
SCHEMBL8918541 0.82 TP53 (0.38) TP53MAPTHTR1AGAATHRB
SCHEMBL8916709 0.81 CTSS (0.49) TP53MAPTGAALMNA

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