SCHEMBL26522678

SCHEMBL26522678

O=C1CC(c2cccc(OCCOCCO)c2)CC(=O)C1=CNCCN1CCN(CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DRD2 P14416 4/20 0.37
▸ DRD4 P21917 4/20 0.37
▸ DRD3 P35462 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAP1LC3B Q9GZQ8 1/20 0.35
▸ HSP90AB1 P08238 3/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTR7 P34969 1/20 0.34

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
SCHEMBL29582088 0.94 DRD2 (0.41) CYP2D6KMT2ADRD2DRD4DRD3
SCHEMBL21821600 0.94 DRD2 (0.41) CYP2D6KMT2ADRD2DRD4DRD3
SCHEMBL26522970 0.89 ALDH1A1 (0.36) KMT2ATP53HRH3MAP1LC3BHTR7
SCHEMBL21821593 0.83 DRD2 (0.38) KMT2ADRD2DRD4DRD3TP53
SCHEMBL21821981 0.82 LMNA (0.38) CYP2D6KMT2ADRD2TP53HRH3
SCHEMBL21821591 0.80 SLC18A3 (0.50) KMT2AMAP1LC3BTSHR
SCHEMBL21821965 0.80 ALDH1A1 (0.39) KMT2ATP53HRH3MAP1LC3BMAPT
SCHEMBL21821639 0.79 HRH3 (0.42) DRD3HRH3
SCHEMBL21821781 0.75 ALDH1A1 (0.38) KMT2AHTTMAP1LC3BMAPT
SCHEMBL29581641 0.75 NR4A2 (0.34) DRD2DRD3KDM4EMAP1LC3BMAPT

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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