SCHEMBL10777341

SCHEMBL10777341

Cc1cc(OCC2=NCCN2)c(C(C)C)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.60
ADRA1A P35348 9/20 0.47
ADRA1D P25100 4/20 0.45
ADRA1B P35368 4/20 0.45
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
HTR1A P08908 2/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 SCHEMBL29387735 0.80 NISCH (0.70) NISCHADRA1AADRA1DADRA1BADRA2A
Tymazoline SCHEMBL250491 0.80 NISCH (0.70) NISCHADRA1AADRA1DADRA1BADRA2A
Tymazoline SCHEMBL4415590 0.79 NISCH (0.68) NISCHADRA1AADRA1DADRA1BADRA2A
Tymazoline SCHEMBL28142132 0.75 NISCH (0.81) NISCHADRA1AADRA1DADRA1BADRA2A
Fenoxazoline SCHEMBL1650113 0.74 NISCH (0.97) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL11265817 0.74 NISCH (0.58) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL11265808 0.74 NISCH (0.60) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL12129212 0.73 TSHR (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL3962998 0.71 NISCH (0.74) NISCHADRA1AADRA1DADRA1BADRA2A
SCHEMBL3163294 0.70 WDR5 (0.57) NISCHADRA1AADRA1DADRA1BADRA2A

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