SCHEMBL21976764

SCHEMBL21976764

CN(C)CC1(O)CCN(C(=O)c2ccc(NSc3cccc4cccnc34)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.69

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
SCHEMBL21976820 0.90 PKLR (0.67) PKLR
SCHEMBL21976228 0.88 PKLR (0.68) PKLR
SCHEMBL21976464 0.88 PKLR (0.67) PKLR
SCHEMBL21976590 0.88 PKLR (0.61) PKLR
SCHEMBL21976227 0.88 PKLR (0.61) PKLR
SCHEMBL21976710 0.87 PKLR (0.68) PKLR
SCHEMBL21976532 0.87 PKLR (0.69) PKLR
SCHEMBL21975981 0.87 PKLR (0.69) PKLR
SCHEMBL21976539 0.87 PKLR (0.71) PKLR
SCHEMBL21976460 0.86 PKLR (0.70) PKLR

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
EP-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
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