SCHEMBL4729818

SCHEMBL4729818

Cc1ccc2c(c1)C(C(=O)C1=NOC(CN3CCN(c4ccccc4OC(C)C)CC3)C1)CN2

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46

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
SCHEMBL4729947 0.93 ADRA1D (0.45) ADRA1DADRA1A
SCHEMBL4730966 0.93 ADRA1D (0.47) ADRA1DADRA1A
SCHEMBL4731810 0.92 ADRA1D (0.45) ADRA1DADRA1A
SCHEMBL4733170 0.92 ADRA1D (0.45) ADRA1DADRA1A
SCHEMBL4727421 0.91 ADRA1D (0.45) ADRA1DADRA1A
SCHEMBL4727388 0.86 ADRA1D (0.42) ADRA1DADRA1A
SCHEMBL4731954 0.82 ADRA1D (0.41) ADRA1DADRA1A
SCHEMBL4730949 0.80 ADRA1D (0.56) ADRA1DADRA1A
SCHEMBL14066209 0.80 ADRA1D (0.56) ADRA1DADRA1A
SCHEMBL14066207 0.79 ADRA1A (0.53) ADRA1DADRA1A

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
WO-2008033513-A1 ISOXAZOLINE ALPHA 1a/1d ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 WO claimed