SCHEMBL26533490

SCHEMBL26533490

CC1C(=O)/C(=C\NCCN2CCN(CCO)CC2)C(=O)CC1c1ccccc1Br

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP1LC3B Q9GZQ8 1/20 0.35
▸ HTR2C P28335 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CARM1 Q86X55 1/20 0.30
▸ PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL21821816 0.86 KDM1A (0.40) MAPK1KMT2AALDH1A1CARM1PRMT6
SCHEMBL21821817 0.86 KDM1A (0.40) MAPK1KMT2AALDH1A1CARM1PRMT6
SCHEMBL22111689 0.84 P4HB (0.35) L3MBTL1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL21821828 0.84 P4HB (0.35) L3MBTL1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL21821867 0.78 HTR2C (0.41) HTR2CHTR2AHRH1
SCHEMBL21821864 0.78 HTR2C (0.41) HTR2CHTR2AHRH1
SCHEMBL21821651 0.77 KDM1A (0.41) MAPTNPSR1MAPK1KMT2AALDH1A1
SCHEMBL21821648 0.77 KDM1A (0.41) MAPTNPSR1MAPK1KMT2AALDH1A1
SCHEMBL21821934 0.76 L3MBTL1 (0.41) MAP1LC3BHTR2CHTR2AHRH1L3MBTL1
SCHEMBL26530426 0.75 KDM1A (0.39) MAPTNPSR1MAPK1KMT2AALDH1A1

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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