SCHEMBL8919325

SCHEMBL8919325

CC(=O)N1CCc2sc(CCCl)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
DRD1 P21728 3/20 0.43
NOTUM Q6P988 2/20 0.43
MCHR1 Q99705 2/20 0.43
HDAC6 Q9UBN7 3/20 0.41
BPTF Q12830 1/20 0.35
BAZ2B Q9UIF8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
GRM5 P41594 1/20 0.34
F2 P00734 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TBXAS1 P24557 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 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
SCHEMBL8918025 0.89 HTR1A (0.43) HTR1ADRD2DRD1NOTUMMCHR1
SCHEMBL8916613 0.86 NOTUM (0.43) DRD2DRD1NOTUMMCHR1HDAC6
SCHEMBL8918612 0.84 HTR1A (0.40) HTR1ADRD2DRD1NOTUMMCHR1
SCHEMBL8917672 0.77 MCHR1 (0.62) NOTUMMCHR1HDAC6HRH3F2
SCHEMBL8916750 0.76 NOTUM (0.43) NOTUMMCHR1HDAC6BPTFBAZ2B
SCHEMBL21411146 0.76 HDAC6 (0.49) NOTUMMCHR1HDAC6BPTFBAZ2B
SCHEMBL3445744 0.75 MCHR1 (0.41) NOTUMMCHR1HDAC6HRH3POLB
SCHEMBL3555661 0.74 NOTUM (0.47) NOTUMMCHR1HDAC6BPTFBAZ2B
SCHEMBL8916698 0.72 BPTF (0.39) NOTUMBPTFBAZ2BPOLBGRM5
SCHEMBL17385378 0.72 PRKDC (0.45) NOTUMMCHR1HDAC6GRM5ALDH1A1

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