SCHEMBL4554907

SCHEMBL4554907

CS(=O)(=O)C1NCCc2ccc(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.46
DRD1 P21728 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SLC6A9 P48067 1/20 0.42
KDM1A O60341 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAOA P21397 2/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
DRD3 P35462 1/20 0.37
HIF1A Q16665 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL31020064 0.78 PRCP (0.53) KDM4ETSHRALDH1A1
SCHEMBL15355400 0.78 PRCP (0.53) KDM4ETSHRALDH1A1
SCHEMBL5682329 0.76 MAOA (0.64) DRD2DRD1SLC6A9KDM1AKDM4E
SCHEMBL21470621 0.76 MAOA (0.64) DRD2DRD1SLC6A9KDM1AKDM4E
SCHEMBL30199335 0.76 MAOA (0.64) DRD2DRD1SLC6A9KDM1AKDM4E
Bromide SCHEMBL5680654 0.74 MAOA (0.65) DRD2DRD1SLC6A9KDM1AKDM4E
SCHEMBL27552616 0.74 DRD2 (0.49) DRD2DRD1CA1CA2CA7
SCHEMBL29731083 0.73 TSHR (0.64) DRD2DRD1CA1CA2CA7
Bromide SCHEMBL5680650 0.73 MAOA (0.60) DRD2DRD1SLC6A9KDM1AKDM4E
SCHEMBL32684608 0.73 PRCP (0.60) DRD2DRD1SLC6A9KDM1AESR1

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
EP-2114890-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-11-11 EP disclosed
WO-2008097428-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2008-08-14 WO disclosed