SCHEMBL8916433

SCHEMBL8916433

CCc1c(CCN2CCC(c3coc4cccc(C)c34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
MCHR1 Q99705 2/20 0.38
DRD2 P14416 7/20 0.37
SLC6A4 P31645 1/20 0.37
BRD3 Q15059 1/20 0.36
HTR2A P28223 6/20 0.36
DRD3 P35462 6/20 0.36
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
MTHFD2 P13995 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
SCHEMBL8919111 0.89 DRD2 (0.51) DRD2SLC6A4HTR2ADRD3
SCHEMBL8916461 0.88 TP53 (0.40) TP53MAPTPOLBMCHR1DRD2
Hydrochloric Acid SCHEMBL8916568 0.87 TP53 (0.39) TP53MAPTPOLBMCHR1DRD2
SCHEMBL8920013 0.87 TP53 (0.39) TP53MAPTPOLBBRD3GAA
SCHEMBL8916977 0.87 CTSS (0.37) TP53MAPTPOLBMCHR1DRD2
SCHEMBL8917325 0.86 MAPT (0.40) TP53MAPTPOLBMCHR1DRD2
Hydrochloric Acid SCHEMBL8919142 0.85 MCHR1 (0.38) TP53MAPTPOLBMCHR1DRD2
SCHEMBL8916989 0.85 DRD2 (0.38) TP53MAPTPOLBMCHR1DRD2
SCHEMBL8916768 0.85 CTSS (0.40) TP53MAPTPOLBMCHR1DRD2
Hydrochloric Acid SCHEMBL8916342 0.85 DRD2 (0.38) TP53MAPTPOLBMCHR1DRD2

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