SCHEMBL8917688

SCHEMBL8917688

CCc1c(CCN2CCN(c3coc4ccc(C)cc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
TP53 P04637 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.33
HTR3A P46098 1/20 0.33
BRD3 Q15059 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8917921 0.94 MAPT (0.37) MAPTTP53MEN1KMT2ABAZ2B
SCHEMBL8918059 0.91 MAPT (0.37) MAPTTP53MEN1KMT2ABAZ2B
SCHEMBL8916688 0.87 MAPT (0.37) MAPTTP53MEN1KMT2ABAZ2B
SCHEMBL8916989 0.86 DRD2 (0.38) MAPTTP53MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8916342 0.85 DRD2 (0.38) MAPTTP53MEN1KMT2APOLB
SCHEMBL8916455 0.85 MAPT (0.44) MAPTTP53MEN1KMT2ABAZ2B
SCHEMBL8920013 0.84 TP53 (0.39) MAPTTP53POLBHTR3ABRD3
SCHEMBL8915761 0.84 MAPT (0.39) MAPTTP53POLBHTR3ABRD3
SCHEMBL8915765 0.83 MAPT (0.38) MAPTTP53MEN1KMT2APOLB
SCHEMBL8916431 0.82 TP53 (0.38) MAPTTP53POLBHTR3ABRD3

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