SCHEMBL16213673

SCHEMBL16213673

CC(C)(C)OC(=O)NC(c1ccccc1)c1cccc(OCC2OCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.45
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
S1PR3 Q99500 1/20 0.40
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL14240838 0.87 MEN1 (0.42) CHRM3CTSSCTSKMEN1KMT2A
SCHEMBL14241242 0.83 CHRM3 (0.51) CHRM3
SCHEMBL14166093 0.82 LMNA (0.47) CHRM3CTSSCTSKMEN1KMT2A
SCHEMBL14166268 0.82 MEN1 (0.38) CHRM3MEN1KMT2ATAAR1GABRB1
SCHEMBL14706796 0.81 CHRM3 (0.45) CHRM3CTSSCTSK
SCHEMBL15768296 0.81 CHRM3 (0.54) CHRM3
SCHEMBL17074741 0.81 MEN1 (0.48) CHRM3CTSSCTSKMEN1KMT2A
SCHEMBL14166340 0.81 MEN1 (0.53) CHRM3CTSSCTSKMEN1KMT2A
SCHEMBL14166631 0.79 CHRM3 (0.51) CHRM3
SCHEMBL18098070 0.78 CHRM3 (0.51) CHRM3MEN1KMT2A

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
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed