SCHEMBL6506995

SCHEMBL6506995

CN1CCCN(C(=O)Cc2cccc(CC(C)(C)NCC(O)c3ccc(O)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
ADRB1 P08588 1/20 0.41
POLB P06746 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
SCHEMBL6533340 0.97 ADRB2 (0.49) ADRB2ADRB1POLBADRB3
SCHEMBL3915484 0.93 ADRB2 (0.45) ADRB2L3MBTL1ADRB1POLBADRB3
SCHEMBL6509325 0.92 ADRB2 (0.48) ADRB2ADRB1POLB
SCHEMBL6529084 0.92 ADRB2 (0.51) ADRB2ADRB1POLB
SCHEMBL3913331 0.90 ADRB2 (0.47) ADRB2ADRB1POLBADRB3
SCHEMBL6508632 0.90 ADRB2 (0.49) ADRB2ADRB1POLB
SCHEMBL6530357 0.86 ADRB2 (0.47) ADRB2L3MBTL1ADRB1POLB
SCHEMBL3918574 0.84 ADRB2 (0.46) ADRB2ADRB1POLB
SCHEMBL6528628 0.84 ADRB2 (0.46) ADRB2ADRB1
SCHEMBL6503586 0.84 ADRB2 (0.48) ADRB2

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