SCHEMBL6507743

SCHEMBL6507743

CC(C)(Cc1cccc(CC(=O)NCc2cccc(F)c2)c1)NCC(O)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.65
ADRB1 P08588 1/20 0.46
SRC P12931 1/20 0.46
CHRM3 P20309 2/20 0.45
MAPK1 P28482 1/20 0.43
RAB9A P51151 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
SCHEMBL3915488 0.93 ADRB2 (0.62) ADRB2ADRB1SRCCHRM3MAPK1
SCHEMBL6511118 0.93 ADRB2 (0.68) ADRB2ADRB1CHRM3RAB9A
SCHEMBL6506204 0.90 ADRB2 (0.78) ADRB2ADRB1CHRM3
SCHEMBL6529257 0.89 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL6528102 0.87 ADRB2 (0.68) ADRB2ADRB1CHRM3
SCHEMBL6507640 0.85 ADRB2 (0.69) ADRB2ADRB1CHRM3
SCHEMBL3921775 0.85 ADRB2 (0.65) ADRB2ADRB1CHRM3RAB9A
SCHEMBL13840738 0.83 ADRB2 (0.74) ADRB2ADRB1CHRM3
SCHEMBL3915477 0.83 ADRB2 (0.74) ADRB2ADRB1CHRM3
SCHEMBL6531425 0.83 ADRB2 (0.59) 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 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