SCHEMBL29875845

SCHEMBL29875845

COc1cc(N)ccc1OCCCN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
EHMT2 Q96KQ7 3/20 0.48
EHMT1 Q9H9B1 3/20 0.48
QPCT Q16769 2/20 0.47
AXL P30530 1/20 0.46
EGFR P00533 4/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
ACHE P22303 2/20 0.45

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
SCHEMBL12801532 0.95 EHMT2 (0.48) EHMT2EHMT1QPCTAXLEGFR
SCHEMBL1930155 0.88 EHMT2 (0.60) KDM4EGAAMAPTEHMT2EHMT1
SCHEMBL12448364 0.86 KDM4E (0.51) KDM4EGAAMAPTEHMT2EHMT1
SCHEMBL4261231 0.86 EHMT2 (0.59) KDM4EGAAMAPTEHMT2EHMT1
SCHEMBL1667163 0.84 AXL (0.61) KDM4EGAAMAPTQPCTAXL
SCHEMBL17372611 0.82 EHMT2 (0.60) EHMT2EHMT1
SCHEMBL14393362 0.82 HRH3 (0.60) EHMT2QPCT
SCHEMBL3435110 0.82 KDM4E (0.54) KDM4E
SCHEMBL5103081 0.81 EHMT2 (0.50) KDM4EGAAMAPTEHMT2EHMT1
SCHEMBL30764769 0.81 EHMT2 (0.50) KDM4EGAAMAPTEHMT2EHMT1

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
CN-114957127-B Glutamine acyl cyclase inhibitor and preparation method and application thereof 深圳大学 2023-08-15 CN disclosed
CN-114957127-A Glutaminyl cyclase inhibitor and preparation method and application thereof 深圳大学 2022-08-30 CN disclosed