SCHEMBL4564280

SCHEMBL4564280

c1ccc2c(c1)CCC(NC1=NCCO1)C2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.56
ADRA2B P18089 9/20 0.56
ADRA2C P18825 9/20 0.56
ADRA1A P35348 3/20 0.56
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
GRIN2B Q13224 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL3751385 0.89 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1723548 0.77 ADRA2B (0.84) ADRA2AADRA2BADRA2CADRA1ACA1
SCHEMBL12883104 0.74 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL10556098 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1724062 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL4043115 0.71 GRIN2B (0.57) MTNR1AMTNR1BGRIN2BCA1CA2
Hydrochloric Acid SCHEMBL4053518 0.69 GRIN2B (0.56) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL10555827 0.69 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AMAOA
SCHEMBL10680232 0.69 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AMAOA
SCHEMBL10554892 0.69 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1AMAOA

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-2120576-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2009-11-25 EP disclosed
WO-2008145615-A2 AMINOAZOLINE AND UREA DERIVATIVES FOR COMBATING ANIMAL PESTS BASF SE (DE) 2008-12-04 WO disclosed