SCHEMBL10782839

SCHEMBL10782839

Cc1ccc(C(C)C)c(OOCC2=NCCN2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 10/20 0.48
TAAR1 Q96RJ0 3/20 0.43
HTR1D P28221 6/20 0.41
HTR1B P28222 5/20 0.41
ADRA1A P35348 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39

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
SCHEMBL7982763 0.76 NISCH (0.56) NISCHTAAR1HTR1DHTR1BADRA1A
SCHEMBL10777341 0.68 NISCH (0.60) NISCHHTR1DHTR1BADRA1AADRA2A
Tymazoline SCHEMBL29387735 0.68 NISCH (0.70) NISCHTAAR1ADRA1AADRA2AADRA2B
Tymazoline SCHEMBL250491 0.68 NISCH (0.70) NISCHTAAR1ADRA1AADRA2AADRA2B
SCHEMBL3962998 0.67 NISCH (0.74) NISCHADRA1AADRA2AADRA2BADRA2C
Tymazoline SCHEMBL4415590 0.67 NISCH (0.68) NISCHTAAR1ADRA1AADRA2AADRA2B
Hydrochloric Acid SCHEMBL9654911 0.66 NISCH (0.72) NISCHADRA1AADRA2AADRA2BADRA2C
SCHEMBL3169446 0.66 HTR1D (0.61) NISCHHTR1DHTR1BADRA1AADRA2A
Fenoxazoline SCHEMBL193061 0.65 NISCH (1.00) NISCHTAAR1ADRA1AADRA2AADRA2B
Fenoxazoline SCHEMBL317133 0.64 NISCH (0.97) NISCHTAAR1ADRA1AADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0086428-B1 ANTIDIARRHOEA VETERINARY COMPOSITION, ITS PRODUCTION AND ORAL DOSER CONTAINING IT BEECHAM GROUP PLC (GB) 1987-07-29 EP disclosed