SCHEMBL7844672

SCHEMBL7844672

O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 2/20 0.52
ACE P12821 13/20 0.50
ACE2 Q9BYF1 9/20 0.50
TSHR P16473 1/20 0.48
DRD4 P21917 2/20 0.48
SLC6A12 P48065 1/20 0.48
SLC6A13 Q9NSD5 1/20 0.48

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
SCHEMBL7845289 0.90 ACE (0.59) ACEACE2TSHR
SCHEMBL7844481 0.88 PKM (0.53) ACEACE2TSHR
SCHEMBL7856200 0.88 PKM (0.53) ACEACE2TSHR
SCHEMBL7845347 0.88 PKM (0.53) ACEACE2TSHR
SCHEMBL7851676 0.87 PKM (0.54) ACEACE2TSHR
SCHEMBL7844351 0.85 FAP (0.47) ACEACE2TSHR
SCHEMBL7855038 0.85 KDM4E (0.58) ACEACE2
SCHEMBL7854853 0.84 ACE (0.52) ACEACE2TSHR
SCHEMBL7852961 0.84 HTRA1 (0.50) HTRA1ACEACE2DRD4SLC6A12
SCHEMBL19559815 0.84 HTRA1 (0.51) HTRA1ACEACE2TSHR

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-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP disclosed
US-5965556-A KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1999-10-12 US disclosed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US disclosed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP disclosed