SCHEMBL5567729

SCHEMBL5567729

COC(=O)[C@H]1Cc2c(ccc3c2OCO3)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 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
SCHEMBL5568616 0.83 MAPT (0.43) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL7653260 0.72 PDE5A (0.41) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL533321 0.72 KDM4E (0.45) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL5564125 0.71 ACHE (0.41) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL5565447 0.71 KDM4E (0.44) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL5567750 0.70 ALDH1A1 (0.49) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL5568366 0.70 KDM4E (0.42) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL5568815 0.70 DRD2 (0.51) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL4838972 0.70 DRD2 (0.51) KDM4EGAAHSD17B10ALDH1A1CYP1A2
SCHEMBL5568857 0.70 PDE5A (0.43) KDM4EGAAHSD17B10ALDH1A1CYP1A2

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-1042288-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS INST NAT SANTE RECH MED (FR) 2007-11-07 EP disclosed
US-6335360-B1 INDOLINE-2-CARBOXYLIC AMIDE DERIVATIVES; OBESITY, EATING AND PSYCHOLOGICAL DISORDERS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2002-01-01 US disclosed