SCHEMBL6530357

SCHEMBL6530357

CCOC(=O)N1CCN(C(=O)Cc2cccc(CC(C)(C)NCC(O)c3ccc(O)cc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 13/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADRB1 P08588 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3917083 0.93 ADRB2 (0.45) ADRB2KMT2AMEN1CYP1A2CYP2C9
SCHEMBL6508632 0.89 ADRB2 (0.49) ADRB2ADRB1POLB
SCHEMBL6533340 0.89 ADRB2 (0.49) ADRB2ADRB1POLB
SCHEMBL6529084 0.89 ADRB2 (0.51) ADRB2KMT2AMEN1ADRB1POLB
SCHEMBL6509325 0.87 ADRB2 (0.48) ADRB2KMT2AMEN1ADRB1POLB
SCHEMBL6506995 0.86 ADRB2 (0.47) ADRB2L3MBTL1ADRB1POLB
SCHEMBL6506203 0.86 ADRB2 (0.52) ADRB2KMT2AMEN1ADRB1
SCHEMBL6506207 0.86 ADRB2 (0.52) ADRB2KMT2AMEN1ADRB1
SCHEMBL6508454 0.82 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL6507412 0.82 KDM4E (0.49) ADRB2KMT2AMEN1CYP2C9L3MBTL1

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