SCHEMBL8917865

SCHEMBL8917865

CCc1c(CCN2CCC(c3cc4ccc(F)cc4o3)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
MCHR1 Q99705 3/20 0.36
HTR2A P28223 4/20 0.35
HTR7 P34969 4/20 0.35
DRD2 P14416 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD3 Q15059 2/20 0.35
KCNH2 Q12809 3/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 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
Hydrochloric Acid SCHEMBL8917305 0.93 ACHE (0.36) MAPTTP53GAAACHEBCHE
SCHEMBL8917035 0.90 ACHE (0.46) MAPTTP53GAAACHEBCHE
SCHEMBL8916426 0.86 MAPT (0.40) MAPTTP53GAAMCHR1DRD2
SCHEMBL8916164 0.85 CTSS (0.48) MAPTTP53GAAMCHR1HTR2A
Hydrochloric Acid SCHEMBL8916553 0.84 CTSS (0.39) MAPTTP53GAAMCHR1HTR2A
Hydrochloric Acid SCHEMBL8918060 0.84 CTSS (0.48) MAPTTP53GAAMCHR1HTR2A
SCHEMBL8918089 0.84 DRD2 (0.54) ACHEHTR2AHTR7DRD2KCNH2
Oxalic Acid SCHEMBL8917045 0.84 CTSS (0.39) MAPTTP53GAAMCHR1HTR2A
Hydrochloric Acid SCHEMBL8918152 0.83 ACHE (0.39) MAPTTP53GAAACHEBCHE
SCHEMBL8916709 0.82 CTSS (0.49) MAPTTP53GAAMCHR1DRD2

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