SCHEMBL7845347

SCHEMBL7845347

O=C(NC1CCCCC1)C(=O)C1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ACE P12821 12/20 0.51
ACE2 Q9BYF1 8/20 0.51
TSHR P16473 1/20 0.49
NPC1 O15118 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
SCHEMBL7844481 1.00 PKM (0.53) PKMACEACE2TSHRNPC1
SCHEMBL7856200 1.00 PKM (0.53) PKMACEACE2TSHRNPC1
SCHEMBL7851676 0.99 PKM (0.54) PKMACEACE2TSHRNPC1
SCHEMBL7854853 0.97 ACE (0.52) PKMACEACE2TSHRNPC1
SCHEMBL7845289 0.90 ACE (0.59) ACEACE2TSHR
SCHEMBL7844672 0.88 HTRA1 (0.52) ACEACE2TSHR
SCHEMBL7844497 0.86 PKM (0.54) PKMNPC1
SCHEMBL7855090 0.85 CTSL (0.46) ACEACE2
SCHEMBL7844295 0.85 PKM (0.53) PKMACEACE2NPC1
SCHEMBL7853614 0.85 PKM (0.53) PKMACEACE2NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP claimed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US claimed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP claimed
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