SCHEMBL5563144

SCHEMBL5563144

CC[C@H](N)C(=O)N1c2ccc(Cl)cc2C[C@H]1C(=O)NCCCl

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TP53 P04637 1/20 0.42
HTR7 P34969 1/20 0.41
LMNA P02545 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL5567550 0.94 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568469 0.91 KDM4E (0.74) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL7040968 0.85 KDM4E (0.66) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563829 0.84 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563827 0.84 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5568600 0.83 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5569373 0.82 KDM4E (0.76) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6240391 0.82 KDM4E (0.76) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5563311 0.81 KDM4E (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6247072 0.80 KDM4E (0.76) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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