SCHEMBL12101080

SCHEMBL12101080

Cc1nc(C(=O)N2CC(C)(C)CC3(CCN(Cc4cccc(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)c4)CC3)C2)cs1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.61
ADRB1 P08588 16/20 0.61
DRD2 P14416 10/20 0.61
ADRA1D P25100 9/20 0.61
DRD3 P35462 3/20 0.53
CHRM3 P20309 1/20 0.48

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
SCHEMBL10242791 0.90 ADRB2 (0.60) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL10241533 0.88 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL10242363 0.87 ADRB2 (0.61) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL12100971 0.85 ADRB2 (0.54) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL12101054 0.84 ADRB2 (0.62) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL12100968 0.82 ADRB2 (0.55) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL10241611 0.81 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL10241636 0.81 ADRB2 (0.63) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL10241654 0.81 ADRB2 (0.67) ADRB2ADRB1DRD2ADRA1DDRD3
SCHEMBL10242341 0.81 ADRB2 (0.61) ADRB2ADRB1DRD2ADRA1DDRD3

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-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed