SCHEMBL16546491

SCHEMBL16546491

COCCCn1cc(CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCO2)C2CC2)c2c(Br)ccnc21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 20/20 0.52
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL13132572 1.00 REN (0.52) RENKCNH2
SCHEMBL2808501 0.96 REN (0.50) RENKCNH2
SCHEMBL13132723 0.92 REN (0.57) REN
SCHEMBL13132771 0.92 REN (0.53) REN
SCHEMBL13132216 0.92 REN (0.52) REN
SCHEMBL13132492 0.92 REN (0.52) RENKCNH2
SCHEMBL16546326 0.92 REN (0.52) REN
SCHEMBL13132562 0.92 REN (0.52) RENKCNH2
SCHEMBL13132774 0.91 REN (0.52) REN
SCHEMBL13132214 0.91 REN (0.52) REN

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-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 — — US disclosed
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