SCHEMBL6533992

SCHEMBL6533992

CC(=O)Nc1cc([C@@H](O)CNC(C)(C)Cc2cccc(C(=O)NCCc3ccccc3Cl)c2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.49
▸ ADRB1 P08588 2/20 0.44
▸ PARP1 P09874 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ ADRB3 P13945 1/20 0.41

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
SCHEMBL3626832 0.90 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL3626835 0.90 ADRB2 (0.49) ADRB2ADRB1
SCHEMBL4391611 0.88 ADRB2 (0.62) ADRB2ADRB1CHRM3
SCHEMBL4391614 0.88 ADRB2 (0.62) ADRB2ADRB1CHRM3
SCHEMBL3914423 0.85 PARP1 (0.46) ADRB2ADRB1PARP1
SCHEMBL13840706 0.85 PARP1 (0.46) ADRB2ADRB1PARP1
SCHEMBL5968674 0.83 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL5968828 0.83 ADRB2 (0.59) ADRB2ADRB1PARP1CHRM3
SCHEMBL5968825 0.83 ADRB2 (0.59) ADRB2ADRB1PARP1CHRM3
SCHEMBL5968677 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
Send feedback