SCHEMBL8917783

SCHEMBL8917783

CC(=O)N1CCc2c(sc(CCN3CCC(c4csc5cc(F)ccc45)CC3)c2C)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.50
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.38
SLC6A4 P31645 1/20 0.38
RBP4 P02753 3/20 0.37
MCHR1 Q99705 4/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL8916709 0.91 CTSS (0.49) CTSSTP53MAPTGAADRD2
Hydrochloric Acid SCHEMBL8920486 0.90 CTSS (0.48) CTSSTP53MAPTGAADRD2
SCHEMBL8916428 0.90 CTSS (0.49) CTSSTP53MAPTGAADRD2
SCHEMBL8915757 0.90 CTSS (0.51) CTSSTP53MAPTGAADRD2
SCHEMBL8915726 0.83 CTSS (0.40) CTSSTP53MAPTDRD2SLC6A4
SCHEMBL8916632 0.81 DRD2 (0.54) DRD2SLC6A4
SCHEMBL8919123 0.79 DRD2 (0.39) CTSSTP53MAPTDRD2SLC6A4
SCHEMBL8919136 0.78 CTSS (0.40) CTSSTP53MAPTGAAMCHR1
SCHEMBL8918702 0.78 MCHR1 (0.64) CTSSDRD2SLC6A4MCHR1MEN1
Hydrochloric Acid SCHEMBL8920393 0.78 CTSS (0.48) CTSSTP53MAPTGAADRD2

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 3 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
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed