SCHEMBL7460844

SCHEMBL7460844

CCOC(=O)c1ccc(N(C[C@H](O)COc2cccc3c2=NC(=O)N=3)C2CCNCC2)nc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.32
TLR2 O60603 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7468835 1.00 TLR4 (0.32) TLR4TLR2HRH3MAPT
SCHEMBL7468045 0.91 MAPT (0.34) MAPT
SCHEMBL7460652 0.91 MAPT (0.34) MAPT
SCHEMBL7473197 0.84 HRH3 (0.33) TLR4TLR2HRH3MAPT
SCHEMBL7469316 0.83 ADRB3 (0.42) HRH3MAPT
SCHEMBL7465477 0.81 MAPT (0.35) TLR4TLR2MAPT
SCHEMBL7470305 0.78 MAPT (0.37) MAPT
SCHEMBL7470143 0.74 MAPT (0.36) MAPT
SCHEMBL7827854 0.73 RXRA (0.36) MAPT
SCHEMBL7823802 0.71 BRD4 (0.36) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214313-A2 HETEROARYLOXY PROPANOLAMINES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-06-19 EP disclosed
WO-2001017989-A2 HETEROARYLOXYPROPANOLAMINES AS BETA3-ADRENERGIC RECEPTOR AGONISTS SANOFI-SYNTHELABO (FR) 2001-03-15 WO disclosed