SCHEMBL1979266

SCHEMBL1979266

O=C(O)C1CCC2CCCCN21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.37
CNR1 P21554 3/20 0.37
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
AGTR2 P50052 2/20 0.33
ACE P12821 3/20 0.33

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
SCHEMBL3732799 0.98 CNR2 (0.36) CNR2CNR1ALDH1A1HTTPOLB
SCHEMBL3710017 0.94 CNR2 (0.40) CNR2CNR1ALDH1A1HTTACE
SCHEMBL3710986 0.94 CNR2 (0.40) CNR2CNR1ALDH1A1HTTACE
SCHEMBL3718206 0.94 CNR2 (0.40) CNR2CNR1ALDH1A1HTTACE
SCHEMBL124448 0.94 ACE (0.37) ACE
SCHEMBL3718209 0.94 CNR2 (0.40) CNR2CNR1ALDH1A1HTTACE
SCHEMBL11098876 0.92 CNR2 (0.40) CNR2CNR1ALDH1A1HTTPOLB
Hydrochloric Acid SCHEMBL9864881 0.92 ACE (0.36) ALDH1A1ACE
SCHEMBL3180764 0.92 CNR2 (0.40) CNR2CNR1ALDH1A1HTTACE
SCHEMBL3720680 0.92 CNR2 (0.40) CNR2CNR1ALDH1A1HTTACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334324-A2 BBETA (15-42) AND ITS ANALOGUES COMBINED WITH CYCLOSPORINE FOR TREATMENT OF REPERFUSION INJURY Fibrex Medical Research & Development GmbH (AT) 2011-06-22 EP disclosed
WO-2010043972-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE FOR THE PREVENTION AND TREATMENT OF HYPOXIC INJURY FIBREX MEDICAL RESEARCH & DEVELOPMENT GMBH (AT) 2010-04-22 WO disclosed
WO-2005056577-A2 PEPTIDE INHIBITORS OF HIV THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-23 WO disclosed