SCHEMBL6531425

SCHEMBL6531425

CN(C)CCNC(=O)Cc1cccc(CC(C)(C)NCC(O)c2ccc(O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.59
CHRM3 P20309 2/20 0.49
ADRB1 P08588 1/20 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
SCHEMBL3913947 0.92 ADRB2 (0.57) ADRB2CHRM3ADRB1
SCHEMBL3923224 0.87 ADRB2 (0.55) ADRB2CHRM3
SCHEMBL6506204 0.86 ADRB2 (0.78) ADRB2CHRM3ADRB1
SCHEMBL6528563 0.85 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL6528558 0.85 ADRB2 (0.64) ADRB2CHRM3
SCHEMBL6506682 0.83 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL6528102 0.83 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL3920823 0.83 ADRB2 (0.55) ADRB2CHRM3ADRB1
SCHEMBL6511118 0.83 ADRB2 (0.68) ADRB2CHRM3ADRB1
SCHEMBL6507743 0.83 ADRB2 (0.65) ADRB2CHRM3ADRB1

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