SCHEMBL8536689

SCHEMBL8536689

c1ccc(-c2ncc[nH]2)c(OC2CCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.59
PDE4A P27815 2/20 0.59
PDE4B Q07343 2/20 0.59
PDE4C Q08493 2/20 0.59
PDE4D Q08499 2/20 0.59
ADRA1A P35348 2/20 0.50
HRH1 P35367 1/20 0.44
CSNK1A1 P48729 1/20 0.42
TYRO3 Q06418 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
IDO1 P14902 1/20 0.39
ALOX5AP P20292 3/20 0.38

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
SCHEMBL8538412 0.99 PDE5A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8541340 0.86 PDE5A (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL19829484 0.75 HRH1 (0.55) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14886257 0.75 NISCH (0.61) ADRA1ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL3403152 0.74 ADRA1A (0.54) PDE5AADRA1ACSNK1A1TYRO3DYRK1B
SCHEMBL29360270 0.74 ADRA1A (0.54) PDE5AADRA1ACSNK1A1TYRO3DYRK1B
SCHEMBL2652672 0.74 ADRA1A (0.50) ADRA1ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL9287236 0.73 NISCH (0.64) ADRA1ACSNK1A1TYRO3DYRK1BMTOR
SCHEMBL27522110 0.72 HRH1 (0.71) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL3403159 0.72 ADRA1A (0.58) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed