SCHEMBL21845349

SCHEMBL21845349

C[C@@H]1C(CCC#N)CC[C@@H]1C(=O)Nc1ncc(C2CCOCC2)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 11/20 0.36
▸ CDK2 P24941 11/20 0.36
▸ CDK5 Q00535 11/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ UCHL1 P09936 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL21845550 0.76 LIMK1 (0.44) UCHL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL17632008 0.75 UCHL1 (0.44) CCNE1CDK2CDK5CDK5R1UCHL1
SCHEMBL17644063 0.75 UCHL1 (0.44) CCNE1CDK2CDK5CDK5R1UCHL1
SCHEMBL21845491 0.73 USP30 (0.51) CCNE1CDK2CDK5UCHL1CNR2
SCHEMBL20877325 0.73 UCHL1 (0.45) CCNE1CDK2CDK5CDK5R1UCHL1
SCHEMBL20877327 0.73 UCHL1 (0.45) CCNE1CDK2CDK5CDK5R1UCHL1
SCHEMBL21283661 0.73 CDK2 (0.46) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL22522760 0.71 CCNE1 (0.52) CCNE1CDK2CDK5CDK5R1SMN1; SMN2
SCHEMBL20883057 0.71 UCHL1 (0.44) CCNE1CDK2CDK5CDK5R1UCHL1
SCHEMBL20883082 0.71 UCHL1 (0.44) CCNE1CDK2CDK5CDK5R1UCHL1

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-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 — — EP disclosed
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