SCHEMBL8536843

SCHEMBL8536843

N#CCCCCCOc1ccccc1-c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.49
PDE5A O76074 8/20 0.41
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
LTB4R Q15722 1/20 0.39
CSNK1A1 P48729 1/20 0.39
TYRO3 Q06418 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
MTOR P42345 1/20 0.37
ADK P55263 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8614544 1.00 ADRA1A (0.49) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8537029 0.99 ADRA1A (0.50) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8541667 0.82 ADRA1A (0.52) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8538145 0.82 ADRA1A (0.52) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8536434 0.82 ADRA1A (0.54) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8615627 0.81 ADRA1A (0.53) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8537153 0.80 ADRA1A (0.46) ADRA1APDE5APDE4APDE4BPDE4C
SCHEMBL8538135 0.78 FABP4 (0.49) ADRA1APDE5ALTB4RCSNK1A1TYRO3
SCHEMBL8541110 0.78 FABP4 (0.49) ADRA1APDE5ALTB4RCSNK1A1TYRO3
SCHEMBL8538071 0.76 FABP4 (0.50) ADRA1APDE5ACSNK1A1TYRO3DYRK1B

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