SCHEMBL21821790

SCHEMBL21821790

O=C1CC(c2ccccc2)C(C(=O)N2CCOCC2)C(=O)/C1=C/NCCN1CCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAP1LC3B Q9GZQ8 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL21821791 1.00 KDM1A (0.39) KDM1ACYP2C19HRH3KDM5BTSHR
SCHEMBL26522597 1.00 KDM1A (0.39) KDM1ACYP2C19HRH3KDM5BTSHR
SCHEMBL21821975 0.85 KDM1A (0.38) KDM1AHRH3TSHRALDH1A1SIGMAR1
SCHEMBL21821973 0.85 KDM1A (0.38) KDM1AHRH3TSHRALDH1A1SIGMAR1
SCHEMBL21822031 0.81 MEN1 (0.41) KDM1ACYP2C19TSHRALDH1A1SMN1; SMN2
SCHEMBL21822029 0.81 MEN1 (0.41) KDM1ACYP2C19TSHRALDH1A1SMN1; SMN2
SCHEMBL21821681 0.81 DRD2 (0.36) KDM1AHRH3ALDH1A1SIGMAR1
SCHEMBL21821682 0.81 DRD2 (0.36) KDM1AHRH3ALDH1A1SIGMAR1
SCHEMBL21821651 0.81 KDM1A (0.41) KDM1ACYP2C19HRH3ALDH1A1SIGMAR1
SCHEMBL21821648 0.81 KDM1A (0.41) KDM1ACYP2C19HRH3ALDH1A1SIGMAR1

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 2 patents. 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
EP-3632903-A1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2020-04-08 — — EP disclosed
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