SCHEMBL16546348

SCHEMBL16546348

COCCCn1nc(C2CCCCC2)c2ccc(CN(C(=O)[C@@]3(C(C)(C)C)CN(C(=O)O)CCO3)C3CC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 12/20 0.35
▸ ITK Q08881 7/20 0.34
▸ SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL2806154 0.86 REN (0.34) RENITK
SCHEMBL2809388 0.81 REN (0.46) REN
SCHEMBL2813578 0.80 REN (0.44) RENITKSLC22A12
SCHEMBL13132302 0.78 REN (0.40) RENITKSLC22A12
SCHEMBL13132222 0.77 REN (0.44) REN
SCHEMBL13132994 0.77 REN (0.44) REN
SCHEMBL16546319 0.77 REN (0.51) REN
SCHEMBL13132996 0.77 REN (0.44) REN
SCHEMBL2810132 0.75 REN (0.41) RENITKSLC22A12
SCHEMBL13131761 0.74 REN (0.64) 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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