SCHEMBL30520820

SCHEMBL30520820

O=C1CCCCN1CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ACHE P22303 3/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ GLS O94925 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL7514125 1.00 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1L3MBTL1GAA
SCHEMBL24796112 0.98 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1L3MBTL1GAA
SCHEMBL5494327 0.95 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1GAAHPGD
SCHEMBL18071022 0.80 TSHR (0.48) ALDH1A1RAB9ANPC1L3MBTL1GAA
SCHEMBL29163908 0.78 ALDH1A1 (0.66) ALDH1A1RAB9AGAAHPGDKMT2A
SCHEMBL30690126 0.78 ALDH1A1 (0.66) ALDH1A1RAB9AGAAHPGDKMT2A
SCHEMBL6699936 0.76 GLS (0.71) RAB9ANPC1L3MBTL1SMN1; SMN2GLS
SCHEMBL21384206 0.76 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1GAAHPGD
SCHEMBL21383938 0.76 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1GAAHPGD
SCHEMBL3243125 0.76 ALDH1A1 (0.69) ALDH1A1RAB9AGAAHPGDKMT2A

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
CN-116615251-A Antibody-drug conjugates comprising GLP1 peptide mimetics and the uses thereof 瑞泽恩制药公司 2023-08-18 — — CN disclosed
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