SCHEMBL5564579

SCHEMBL5564579

CC[C@H](N)C(=O)N1c2cccc(OC)c2C[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.53
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AADAT Q8N5Z0 1/20 0.44
LMNA P02545 1/20 0.42
ACE P12821 3/20 0.41

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
SCHEMBL5564582 1.00 AGTR2 (0.53) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5567526 0.85 KDM4E (0.42) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5567528 0.85 KDM4E (0.42) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5563210 0.85 KDM4E (0.47) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5563204 0.85 KDM4E (0.47) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5563328 0.85 KDM4E (0.47) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5563330 0.85 KDM4E (0.47) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5565573 0.84 KDM4E (0.47) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5565574 0.84 KDM4E (0.47) AGTR2ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL6245009 0.84 KDM4E (0.69) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6

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