SCHEMBL7845317

SCHEMBL7845317

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1C(O)C(=O)NC1CCCCC1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 4/20 0.47
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
ACE P12821 7/20 0.44
ACE2 Q9BYF1 2/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7851592 0.88 ALDH1A1 (0.54) KDM4EALDH1A1ACEACE2
SCHEMBL7854059 0.86 NPC1 (0.57) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL7856176 0.85 NPC1 (0.56) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7853929 0.84 NPC1 (0.62) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7852961 0.83 HTRA1 (0.50) KDM4EALDH1A1ACEACE2
SCHEMBL7855242 0.81 KDM4E (0.63) KMT2ARAB9AKDM4EALDH1A1ACE
SCHEMBL7846923 0.80 ACE (0.51) SMN1; SMN2KDM4EALDH1A1ACEACE2
SCHEMBL7853586 0.80 ALDH1A1 (0.49) KMT2AKDM4EALDH1A1ACE2MEN1
SCHEMBL7844295 0.80 PKM (0.53) NPC1KDM4EALDH1A1ACEACE2
SCHEMBL7853614 0.80 PKM (0.53) NPC1KDM4EALDH1A1ACEACE2

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