SCHEMBL3662326

SCHEMBL3662326

COc1ccc2nccc(CCCCC(N)=O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.44
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44

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
SCHEMBL3331740 0.92 MTNR1A (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL3632623 0.84 KCNH2 (0.42) KCNH2MTNR1AMTNR1B
SCHEMBL592717 0.83 MTNR1A (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL591010 0.83 KCNH2 (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL592257 0.83 KCNH2 (0.45) KCNH2MTNR1AMTNR1B
SCHEMBL591392 0.81 KCNH2 (0.42) KCNH2MTNR1AMTNR1B
SCHEMBL3662327 0.81 MTNR1A (0.57) KCNH2MTNR1AMTNR1B
SCHEMBL592108 0.80 KCNH2 (0.41) KCNH2
SCHEMBL591651 0.80 KCNH2 (0.48) KCNH2MTNR1AMTNR1B
SCHEMBL703523 0.80 KCNH2 (0.44) KCNH2MTNR1AMTNR1B

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-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO disclosed