SCHEMBL8916613

SCHEMBL8916613

CC(=O)N1CCc2sc(CCBr)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
HDAC6 Q9UBN7 3/20 0.41
MCHR1 Q99705 2/20 0.41
GRM5 P41594 1/20 0.37
BPTF Q12830 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
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 2/20 0.34
SLC5A1 P13866 2/20 0.34
SLC5A2 P31639 2/20 0.34
BAZ2B Q9UIF8 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 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
SCHEMBL8916750 0.89 NOTUM (0.43) NOTUMHDAC6MCHR1GRM5BPTF
SCHEMBL8919325 0.86 HTR1A (0.43) NOTUMHDAC6MCHR1GRM5BPTF
SCHEMBL21411146 0.79 HDAC6 (0.49) NOTUMHDAC6MCHR1GRM5BPTF
SCHEMBL8918025 0.76 HTR1A (0.43) NOTUMHDAC6MCHR1GRM5BPTF
SCHEMBL3445744 0.75 MCHR1 (0.41) NOTUMHDAC6MCHR1HRH3POLB
SCHEMBL17385378 0.75 PRKDC (0.45) NOTUMHDAC6MCHR1GRM5ALDH1A1
SCHEMBL3555661 0.74 NOTUM (0.47) NOTUMHDAC6MCHR1GRM5BPTF
SCHEMBL3441449 0.71 HDAC6 (0.42) HDAC6MCHR1POLBF2TPSAB1
SCHEMBL8680457 0.71 ALDH1A1 (0.45) NOTUMHDAC6MCHR1BPTFPOLB
SCHEMBL8918612 0.71 HTR1A (0.40) NOTUMHDAC6MCHR1GRM5BPTF

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 1 patent. 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