SCHEMBL6531802

SCHEMBL6531802

CC(C)(Cc1cccc(CC(=O)N2CCN(c3ccccn3)CC2)c1)NCC(O)c1ccc(O)c(NC(N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.49
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 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
SCHEMBL6507412 0.88 KDM4E (0.49) ADRB2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL3915463 0.86 KDM4E (0.49) ADRB2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6506207 0.85 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6506203 0.85 ADRB2 (0.52) ADRB2ADRB1ADRB3
SCHEMBL6515181 0.84 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL6515169 0.84 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL6504599 0.84 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL6508746 0.82 ADRB2 (0.52) ADRB2ADRB1
SCHEMBL6482712 0.82 KDM4E (0.47) ADRB2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL6511853 0.80 ADRB2 (0.50) ADRB2ADRB1

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