SCHEMBL8916994

SCHEMBL8916994

CCc1c(CCN2CCN(c3csc4cc(F)ccc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.43
DRD4 P21917 2/20 0.43
TP53 P04637 2/20 0.42
ADRA1A P35348 1/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.37
CTSS P25774 1/20 0.37
HTR1A P08908 3/20 0.36
DRD2 P14416 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BAZ2B Q9UIF8 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
SCHEMBL8919168 0.94 TP53 (0.49) HTR2ADRD4TP53ADRA1AMAPT
SCHEMBL8915765 0.91 MAPT (0.38) HTR2ADRD4TP53MAPTMEN1
SCHEMBL8916455 0.86 MAPT (0.44) TP53MAPTMEN1KMT2ABAZ2B
SCHEMBL8916709 0.86 CTSS (0.49) TP53MAPTGAACTSSDRD2
Hydrochloric Acid SCHEMBL8920486 0.85 CTSS (0.48) TP53MAPTGAACTSSDRD2
SCHEMBL8916688 0.85 MAPT (0.37) HTR2ATP53MAPTGAACTSS
SCHEMBL8917290 0.84 TP53 (0.36) TP53MAPTGAAHTR1A
SCHEMBL8919144 0.84 TP53 (0.38) TP53MAPTGAAHTR1A
SCHEMBL8918059 0.83 MAPT (0.37) TP53MAPTGAAMEN1KMT2A
SCHEMBL8916959 0.82 TP53 (0.39) HTR2ATP53ADRA1AMAPTGAA

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