SCHEMBL10078733

SCHEMBL10078733

COc1ccc2nccc(N3CCC(CNC[C@@H]4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)C3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.42
HTR1A P08908 4/20 0.38
TRPV1 Q8NER1 2/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL1222703 1.00 KCNH2 (0.42) KCNH2HTR1ATRPV1USP30
SCHEMBL1223089 1.00 KCNH2 (0.42) KCNH2HTR1ATRPV1USP30
SCHEMBL1223019 0.90 KCNH2 (0.42) KCNH2
SCHEMBL1222722 0.90 KCNH2 (0.42) KCNH2
SCHEMBL1222721 0.90 KCNH2 (0.42) KCNH2
SCHEMBL1224569 0.89 KCNH2 (0.44) KCNH2
SCHEMBL1224571 0.89 KCNH2 (0.44) KCNH2
SCHEMBL1224606 0.88 KCNH2 (0.44) KCNH2
SCHEMBL1224481 0.88 KCNH2 (0.40) KCNH2
SCHEMBL1222597 0.88 KCNH2 (0.40) KCNH2

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-8217029-B2 Oxazolidinone antibiotics ACTELION PHARMACEUTICALS LTD (CH) 2012-07-10 US claimed