SCHEMBL29109490

SCHEMBL29109490

C=CCC1(CC=C)CCN(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL22450100 0.81 GRIN1 (0.33) GRIN1GRIN2ACHRM2CHRM3POLB
SCHEMBL6732393 0.75 CHRM2 (0.35) GRIN1GRIN2ACHRM2CHRM3
SCHEMBL20714374 0.74 GABRA1 (0.33) KMT2A
SCHEMBL28183701 0.74
SCHEMBL22449987 0.73 GRIN1 (0.35) KMT2AGRIN1GRIN2APOLB
SCHEMBL22450093 0.73 GRIN1 (0.35) KMT2AGRIN1GRIN2APOLB
SCHEMBL16835514 0.73 ALDH1A1 (0.31) KMT2APOLB
SCHEMBL22449959 0.71 LMNA (0.33) KMT2A
SCHEMBL23152400 0.71 PIK3CD (0.35) GRIN1GRIN2A
SCHEMBL5418519 0.69 METAP2 (0.44) KMT2A

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-111406060-B Heterocyclic compound and organic light-emitting element comprising same 株式会社LG化学 2023-02-03 CN disclosed