SCHEMBL5962846

SCHEMBL5962846

O=C(Nc1ccc(C(=O)N2CCCC2CO)c(NC(=O)OCC(Cl)(Cl)Cl)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
CHRM3 P20309 18/20 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
SCHEMBL5962971 0.81 HCRTR1 (0.38) CHRM3
SCHEMBL13594816 0.80 CHRM3 (0.47) CHRM3
SCHEMBL4408331 0.80 CHRM3 (0.47) CHRM3
SCHEMBL5962712 0.80 CHRM3 (0.39) EPHX2CHRM3
SCHEMBL5962901 0.78 CHRM3 (0.44) CHRM3
SCHEMBL13594815 0.74 ROCK2 (0.42) CHRM3
SCHEMBL5966271 0.74 SPHK2 (0.38) CHRM3
SCHEMBL4408525 0.74 ROCK2 (0.42) CHRM3
SCHEMBL14891093 0.72 L3MBTL1 (0.45) EPHX2CHRM3
SCHEMBL30821975 0.72 L3MBTL1 (0.45) EPHX2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 EP disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 EP disclosed