SCHEMBL21821973

SCHEMBL21821973

NC(=O)C1C(=O)/C(=C\NCCN2CCN(CCO)CC2)C(=O)CC1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.38
▸ SIGMAR1 Q99720 6/20 0.38
▸ SLC18A3 Q16572 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 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
SCHEMBL21821975 1.00 KDM1A (0.38) KDM1ASIGMAR1SLC18A3ALDH1A1HTT
SCHEMBL21821681 0.86 DRD2 (0.36) KDM1ASIGMAR1SLC18A3ALDH1A1HRH3
SCHEMBL21821682 0.86 DRD2 (0.36) KDM1ASIGMAR1SLC18A3ALDH1A1HRH3
SCHEMBL21822029 0.86 MEN1 (0.41) KDM1AALDH1A1HTTMEN1KMT2A
SCHEMBL21822031 0.86 MEN1 (0.41) KDM1AALDH1A1HTTMEN1KMT2A
SCHEMBL21821651 0.86 KDM1A (0.41) KDM1ASIGMAR1SLC18A3ALDH1A1HTT
SCHEMBL21821648 0.86 KDM1A (0.41) KDM1ASIGMAR1SLC18A3ALDH1A1HTT
SCHEMBL26522597 0.85 KDM1A (0.39) KDM1ASIGMAR1ALDH1A1HRH3GAA
SCHEMBL21821791 0.85 KDM1A (0.39) KDM1ASIGMAR1ALDH1A1HRH3GAA
SCHEMBL21821816 0.85 KDM1A (0.40) KDM1ASIGMAR1SLC18A3ALDH1A1HTT

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 3 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-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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