SCHEMBL23452840

SCHEMBL23452840

C#CN1CC[C@H](C(=O)Nc2ncc(C3CCOCC3)s2)[C@@H]1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ CCNE1 P24864 7/20 0.37
▸ CDK2 P24941 7/20 0.37
▸ CDK5 Q00535 7/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ OGA O60502 5/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL17632008 0.90 UCHL1 (0.44) UCHL1CNR2CCNE1CDK2CDK5
SCHEMBL17644063 0.90 UCHL1 (0.44) UCHL1CNR2CCNE1CDK2CDK5
SCHEMBL21283661 0.75 CDK2 (0.46) CNR2CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL20883081 0.75 SMN1; SMN2 (0.59) UCHL1CNR2CCNE1CDK2CDK5
SCHEMBL20239934 0.74 USP30 (0.38) UCHL1CCNE1CDK2CDK5SMN1; SMN2
SCHEMBL22522971 0.73 SMN1; SMN2 (0.45) UCHL1CNR2CCNE1CDK2CDK5
SCHEMBL17632106 0.72 UCHL1 (0.72) UCHL1
SCHEMBL17632101 0.72 UCHL1 (0.72) UCHL1
SCHEMBL21845349 0.71 CCNE1 (0.36) UCHL1CNR2CCNE1CDK2CDK5
SCHEMBL20877325 0.70 UCHL1 (0.45) UCHL1CNR2CCNE1CDK2CDK5

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-3828179-A1 CYANOPYRROLIDINES AS DUB MODULATORS Mission Therapeutics Limited (GB) 2021-06-02 — — EP disclosed
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