SCHEMBL3828096

SCHEMBL3828096

COc1ccc(C2CCN(C)C2=O)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.54
PDE4B Q07343 3/20 0.54
PDE4C Q08493 3/20 0.54
PDE4D Q08499 3/20 0.54
HTR2C P28335 7/20 0.50
HTR2B P41595 4/20 0.48
HTR2A P28223 3/20 0.47

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
SCHEMBL26956144 0.87 HTR2C (0.43) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7673770 0.78 ROCK2 (0.54) HTR2C
SCHEMBL3858800 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8198999 0.76 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL3850521 0.76 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7963965 0.75 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
SCHEMBL24440866 0.74 HTR2C (0.34) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL25669137 0.74 CHRNA7 (0.39)
SCHEMBL2045579 0.74 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL18464323 0.73 NR3C1 (0.47) PDE4APDE4BPDE4CPDE4D

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
WO-2022140417-A1 METHODS FOR DELAY OF EJACULATION IN HUMAN MALES KANNA HEALTH LTD. (GB) 2022-06-30 WO disclosed
EP-2102168-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2009-09-23 EP disclosed
WO-2008046527-A1 ACYLAMINOPYRAZOLES FOR TREATING CARDIOVASCULAR DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-04-24 WO disclosed