SCHEMBL8916102

SCHEMBL8916102

CC(=O)N1CCc2sc(C)c(C(=O)CCCCl)c2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.37
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BPTF Q12830 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BAZ2B Q9UIF8 7/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NOTUM Q6P988 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL8915820 0.90 ALDH1A1 (0.46) MCHR1ALDH1A1L3MBTL1BPTFKDM4E
SCHEMBL8916698 0.78 BPTF (0.39) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8916463 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8917672 0.74 MCHR1 (0.62) MCHR1NOTUM
SCHEMBL8916936 0.73 BPTF (0.46) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8916773 0.72 BPTF (0.45) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8917878 0.72 MCHR1 (0.62) MCHR1ALDH1A1L3MBTL1BPTFHPGD
SCHEMBL8917300 0.71 ALDH1A1 (0.50) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8915764 0.69 BPTF (0.48) ALDH1A1L3MBTL1BPTFKDM4EHPGD
SCHEMBL8917714 0.68 MCHR1 (0.55) MCHR1ALDH1A1KDM4EHPGDGAA

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