SCHEMBL5565447

SCHEMBL5565447

COC(=O)[C@H]1Cc2c(C)cccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.40
CCKBR P32239 1/20 0.40
MEN1 O00255 1/20 0.39
BACE1 P56817 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PDE5A O76074 3/20 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
SCHEMBL14407231 0.85 ALDH1A1 (0.47) KDM4EHSD17B10MAPTALDH1A1CYP1A2
SCHEMBL29079914 0.85 EPHX2 (0.36) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL5565633 0.85 ALDH1A1 (0.47) KDM4EHSD17B10MAPTALDH1A1CYP1A2
SCHEMBL7044778 0.84 DRD2 (0.51) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL5568815 0.84 DRD2 (0.51) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL4838972 0.84 DRD2 (0.51) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL5568366 0.84 KDM4E (0.42) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL5568857 0.84 PDE5A (0.43) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL30681398 0.80 KDM4E (0.40) KDM4EHSD17B10TSHRHTTGAA
SCHEMBL7037275 0.79 DRD2 (0.45) KDM4EHSD17B10TSHRHTTGAA

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 4 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
EP-1042288-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-10-11 EP disclosed
WO-1999033801-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-07-08 WO disclosed