SCHEMBL12101002

SCHEMBL12101002

CC(C)c1nc(C(=O)N2CC(F)(F)CC3(CCN(Cc4cc(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)ccc56)cs4)CC3)C2)cs1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.41
ADRB1 P08588 10/20 0.41
ADRB3 P13945 4/20 0.41
CHRM3 P20309 1/20 0.41
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 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
SCHEMBL10242031 0.93 ADRB2 (0.44) ADRB2ADRB1ADRB3CHRM3DRD2
SCHEMBL10241987 0.85 CHRM3 (0.47) ADRB2ADRB1CHRM3DRD2
SCHEMBL10241663 0.81 CHRM3 (0.58) ADRB2ADRB1CHRM3DRD2
SCHEMBL12101081 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3CHRM3
SCHEMBL12101020 0.80 CHRM3 (0.44) ADRB2ADRB1CHRM3
SCHEMBL10241866 0.78 ADRB2 (0.65) ADRB2ADRB1CHRM3DRD2DRD3
SCHEMBL10242798 0.78 CHRM3 (0.59) ADRB2ADRB1ADRB3CHRM3
SCHEMBL2143093 0.78 CHRM3 (0.38) ADRB2CHRM3
SCHEMBL10242309 0.77 CHRM3 (0.57) ADRB2ADRB1CHRM3
SCHEMBL10242006 0.77 CHRM3 (0.54) ADRB2ADRB1ADRB3CHRM3

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