SCHEMBL12100982

SCHEMBL12100982

Cc1ccc(C(=O)N2CCCC3(CCN(Cc4ccc(F)c(CCNC[C@H](O)c5ccc(O)c6[nH]c(=O)sc56)c4F)CC3)C2)s1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.53
CHRM3 P20309 1/20 0.53
ADRB1 P08588 17/20 0.47
ADRA1D P25100 9/20 0.47
DRD2 P14416 8/20 0.47
DRD3 P35462 5/20 0.43

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
SCHEMBL12100989 0.90 ADRB2 (0.43) ADRB2CHRM3ADRB1
SCHEMBL10241857 0.90 ADRB2 (0.65) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL12100993 0.89 ADRB2 (0.59) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL12100988 0.82 ADRB2 (0.46) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL10241864 0.81 ADRB2 (0.54) ADRB2CHRM3ADRB1
SCHEMBL10241697 0.81 ADRB2 (0.73) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL10241745 0.80 ADRB2 (0.68) ADRB2CHRM3ADRB1ADRA1DDRD2
SCHEMBL12100983 0.79 ADRB2 (0.53) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL12100991 0.79 ADRB2 (0.53) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL10241995 0.77 ADRB2 (0.66) 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