SCHEMBL29666965

SCHEMBL29666965

CC1=CN(C(C)C)CN=C1N[C@@H](C)c1ccc2c(c1)OCC2

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 19/20 0.40
▸ PFKFB3 Q16875 1/20 0.38

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
SCHEMBL29666969 0.81 PFKFB3 (0.32) PFKFB3
SCHEMBL28254350 0.75 ATP1A1 (0.45) PFKFB3
SCHEMBL29589297 0.72 OGA (0.37) OGA
SCHEMBL2607335 0.67 OGA (0.48) OGA
SCHEMBL24469466 0.66 OGA (0.39) OGA
SCHEMBL26344128 0.66 OGA (0.39) OGA
SCHEMBL31364128 0.66 OGA (0.39) OGA
SCHEMBL24469549 0.65 CYP3A4 (0.59) OGA
SCHEMBL24469573 0.65 CYP3A4 (0.59) OGA
SCHEMBL24469551 0.64 OGA (0.46) OGA

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
WO-2022111498-A1 PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2022-06-02 — — WO disclosed
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