SCHEMBL26523405

SCHEMBL26523405

O=CN1CCN(CCNC=C2C(=O)CC(c3ccccc3)CC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CYP2C19 P33261 1/20 0.42
▸ MAP1LC3B Q9GZQ8 6/20 0.42
▸ CARM1 Q86X55 1/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ ADRA1D P25100 6/20 0.40
▸ ADRA1A P35348 6/20 0.40
▸ ADRA1B P35368 6/20 0.40

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
SCHEMBL26530728 0.89 MEN1 (0.49) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL21821591 0.88 SLC18A3 (0.50) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL22056945 0.86 CYP2C19 (0.58) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL21822002 0.86 MEN1 (0.48) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL26523386 0.85 MEN1 (0.45) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL21821892 0.84 MEN1 (0.44) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL21792847 0.84 MEN1 (0.44) MEN1KMT2ACYP2C19MAP1LC3BCARM1
SCHEMBL21773998 0.83 KMT2A (0.47) MEN1KMT2A
SCHEMBL21821560 0.82 MAP1LC3B (0.46) MEN1KMT2ACYP2C19MAP1LC3B
SCHEMBL21821755 0.82 MAP1LC3B (0.44) MEN1KMT2ACYP2C19MAP1LC3BCARM1

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-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
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