SCHEMBL7982763

SCHEMBL7982763

Cc1ccc(C(C)C)c(OOCC2=NCCN2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.56
TAAR1 Q96RJ0 1/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1B P35368 3/20 0.45
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
HTR1D P28221 3/20 0.41
HTR1B P28222 3/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40

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
Tymazoline SCHEMBL250491 0.87 NISCH (0.70) NISCHTAAR1ADRA1AADRA1DADRA1B
Tymazoline SCHEMBL29387735 0.87 NISCH (0.70) NISCHTAAR1ADRA1AADRA1DADRA1B
Tymazoline SCHEMBL4415590 0.86 NISCH (0.68) NISCHTAAR1ADRA1AADRA1DADRA1B
Tymazoline SCHEMBL28142132 0.82 NISCH (0.81) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL10782839 0.76 NISCH (0.48) NISCHTAAR1ADRA1AADRA1DADRA1B
Fenoxazoline SCHEMBL193061 0.72 NISCH (1.00) NISCHTAAR1ADRA1AADRA1DADRA1B
SCHEMBL11265817 0.71 NISCH (0.58) NISCHADRA1AADRA1DADRA1BADRA2A
Fenoxazoline SCHEMBL317133 0.71 NISCH (0.97) NISCHTAAR1ADRA1AADRA1DADRA1B
Fenoxazoline SCHEMBL1650113 0.71 NISCH (0.97) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL9463062 0.71 LMNA (0.54) ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0692975-A4 ADMINISTRATION OF VASO-ACTIVE AGENT AND THERAPEUTIC AGENT UNIV QUEENSLAND (AU) 2000-11-29 EP disclosed
US-5750141-A DRUG DELIVERY TO BODY TISSUE BELOW THE STRATUM CORNEUM AND INCREASE LOCAL PERFUSION AND/OR CONCENTRATION OF THE DRUG THE UNIVERSITY OF QUEENSLAND (AU) 1998-05-12 US disclosed
EP-0692975-A1 ADMINISTRATION OF VASO-ACTIVE AGENT AND THERAPEUTIC AGENT THE UNIVERSITY OF QUEENSLAND (AU) 1996-01-24 EP disclosed
WO-1994023748-A1 ADMINISTRATION OF VASO-ACTIVE AGENT AND THERAPEUTIC AGENT THE UNIVERSITY OF QUEENSLAND (AU) 1994-10-27 WO disclosed
US-5334138-A Drug delivery; mixture of active material and vasoconstrictor NORTH CAROLINA STATE UNIVERSITY (US) 1994-08-02 US disclosed
EP-0448299-B1 Composition for increased skin concentration of active agents by iontophoresis BECTON DICKINSON CO (US) 1994-06-01 EP disclosed
EP-0448299-A2 Composition for increased skin concentration of active agents by iontophoresis Becton, Dickinson and Company (US) 1991-09-25 EP disclosed