SCHEMBL6511853

SCHEMBL6511853

CC(C)(Cc1cccc(CC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c1)NCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.50
CHRM3 P20309 1/20 0.39
ADRB1 P08588 1/20 0.38
CHRM4 P08173 1/20 0.38
CCR1 P32246 2/20 0.37

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
SCHEMBL6515195 0.87 ADRB2 (0.45) ADRB2ADRB1CHRM4CCR1
SCHEMBL3915206 0.86 ADRB2 (0.43) ADRB2ADRB1CHRM4CCR1
SCHEMBL6515181 0.83 ADRB2 (0.53) ADRB2CHRM3ADRB1
SCHEMBL6515169 0.83 ADRB2 (0.53) ADRB2CHRM3ADRB1
SCHEMBL6506207 0.82 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6506203 0.82 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6504599 0.82 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6508746 0.81 ADRB2 (0.52) ADRB2CHRM3ADRB1
SCHEMBL6491888 0.81 LMNA (0.42) ADRB2ADRB1CHRM4CCR1
SCHEMBL6531802 0.80 ADRB2 (0.49) ADRB2ADRB1

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-2005092841-A1 COMPOUNDS HAVING BETA-AGONIST ACTIVITY PFIZER LIMITED (GB) 2005-10-06 WO disclosed