SCHEMBL5568385

SCHEMBL5568385

O=C(O)[C@H]1Cc2cc(OCc3ccccc3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
MAOB P27338 8/20 0.53
MAOA P21397 7/20 0.53
CREBBP Q92793 1/20 0.51
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
KDM1A O60341 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
SRD5A2 P31213 1/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR5 Q9H228 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5568388 1.00 GAA (0.55) GAAMAPTMAOBMAOACREBBP
Trifluoroacetamide SCHEMBL8213387 0.89 GAA (0.44) GAAMAPTMAOBMAOACREBBP
SCHEMBL7039228 0.81 L3MBTL1 (0.51) MAOBMAOACREBBP
SCHEMBL31627898 0.81 HDAC8 (0.57) MAOBMAOAHRH3
SCHEMBL11071303 0.81 MAPT (0.49) GAAMAPTKDM4EALDH1A1CYP1A2
SCHEMBL27657745 0.81 GAA (0.49) GAAMAPTMAOBMAOAKDM4E
SCHEMBL28923896 0.80 CREBBP (0.67) MAOBMAOACREBBPKDM1AHRH3
SCHEMBL31444075 0.80 CREBBP (0.67) MAOBMAOACREBBPKDM1AHRH3
SCHEMBL12420717 0.80 MAPT (0.49) GAAMAPTCREBBPS1PR5
SCHEMBL27642163 0.80 MAPT (0.48) GAAMAPTKDM4EALDH1A1CYP1A2

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