SCHEMBL5567732

SCHEMBL5567732

COC(=O)C1Cc2cc3ccccc3cc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
BACE1 P56817 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL29569853 0.83 GAA (0.65) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL644461 0.83 GAA (0.65) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL3989086 0.83 GAA (0.65) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL926891 0.83 GAA (0.65) GAAMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL926973 0.81 GAA (0.63) GAAMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7950878 0.81 GAA (0.63) GAAMAPTKDM4EALDH1A1HPGD
Methyl Alcohol SCHEMBL28795455 0.81 GAA (0.63) GAAMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6397031 0.81 GAA (0.63) GAAMAPTKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL30046451 0.81 GAA (0.63) GAAMAPTKDM4EALDH1A1HPGD
SCHEMBL1760643 0.81 ALDH1A1 (0.44) GAAMAPTALDH1A1HPGDHSD17B10

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