SCHEMBL12101025

SCHEMBL12101025

CCc1cc(C(=O)NCC2(O)CCN(Cc3ccc(F)c(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)sc45)c3)CC2)cs1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.57
CHRM3 P20309 1/20 0.57
ADRB1 P08588 16/20 0.51
ADRA1D P25100 8/20 0.51
DRD2 P14416 8/20 0.51
DRD3 P35462 5/20 0.47

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
SCHEMBL10242501 0.85 ADRB2 (0.75) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL10242515 0.81 ADRB2 (0.68) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL10242428 0.76 ADRB2 (0.62) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL10242335 0.75 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL10242408 0.75 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL12095843 0.75 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL1276374 0.75 ADRB2 (0.81) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL1276054 0.75 ADRB2 (0.81) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL20025035 0.73 ADRB2 (0.69) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL1289938 0.72 ADRB2 (0.71) ADRB2CHRM3ADRB1ADRA1DDRD2

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