SCHEMBL3662327

SCHEMBL3662327

COc1ccc2nccc(CCCNC(C)=O)c2n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.57
MTNR1B P49286 15/20 0.57
KCNH2 Q12809 3/20 0.47
HTR2C P28335 1/20 0.46

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
SCHEMBL591076 0.85 MTNR1A (0.47) MTNR1AMTNR1BKCNH2
SCHEMBL591010 0.81 KCNH2 (0.43) MTNR1AMTNR1BKCNH2
SCHEMBL3662326 0.81 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL13034169 0.79 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL592717 0.79 MTNR1A (0.47) MTNR1AMTNR1BKCNH2
SCHEMBL592699 0.78 KCNH2 (0.45) MTNR1AMTNR1BKCNH2
SCHEMBL592257 0.78 KCNH2 (0.45) MTNR1AMTNR1BKCNH2
SCHEMBL703523 0.78 KCNH2 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL3331740 0.78 MTNR1A (0.46) MTNR1AMTNR1BKCNH2
SCHEMBL591392 0.77 KCNH2 (0.42) MTNR1AMTNR1BKCNH2

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