SCHEMBL6529257

SCHEMBL6529257

CC(C)(Cc1cccc(CC(=O)NCc2cc(F)cc(C(F)(F)F)c2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.59
ADRB1 P08588 3/20 0.53
CHRM3 P20309 1/20 0.42

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
SCHEMBL3916980 0.93 ADRB2 (0.57) ADRB2ADRB1CHRM3
SCHEMBL4382527 0.90 ADRB2 (0.76) ADRB2ADRB1CHRM3
SCHEMBL4382532 0.90 ADRB2 (0.76) ADRB2ADRB1CHRM3
SCHEMBL6507743 0.89 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL6511118 0.88 ADRB2 (0.68) ADRB2ADRB1CHRM3
SCHEMBL6529738 0.87 ADRB2 (0.64) ADRB2ADRB1CHRM3
SCHEMBL6506204 0.86 ADRB2 (0.78) ADRB2ADRB1CHRM3
SCHEMBL4384710 0.84 ADRB2 (0.81) ADRB2ADRB1CHRM3
SCHEMBL4384705 0.84 ADRB2 (0.81) ADRB2ADRB1CHRM3
SCHEMBL6491256 0.83 ADRB2 (0.55) ADRB2ADRB1CHRM3

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 2 patents. 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
WO-2005028467-A1 ANTIBACTERIAL 3,5-DIAMINOPIPERIDINE-SUBSTITUTE AROMATIC AND HETEROAROMATIC COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed