SCHEMBL29092604

SCHEMBL29092604

O=C1CCN(c2noc3ccc(CC4CCCN(C(=O)O)CC4)cc23)C(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.34
▸ ACHE P22303 4/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 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
SCHEMBL29092429 0.93 LDHA (0.34) BCHEACHE
SCHEMBL29092816 0.91 BCHE (0.35) BCHEACHESMN1; SMN2TP53HSD17B10
SCHEMBL29930726 0.88 DDB1 (0.39) —
SCHEMBL27031216 0.88 DDB1 (0.39) —
SCHEMBL27031149 0.86 DDB1 (0.37) BCHEACHEHTR1ACYP2D6SLC6A4
SCHEMBL27031113 0.84 ACHE (0.37) BCHEACHEHTR1ACYP2D6SLC6A4
SCHEMBL27031107 0.84 DDB1 (0.41) —
SCHEMBL29930514 0.84 DDB1 (0.41) —
SCHEMBL27031104 0.84 DDB1 (0.33) BCHEACHEHTR1ACYP2D6SLC6A4
SCHEMBL27031231 0.84 PIM1 (0.40) BCHEACHEHTR1ACYP2D6SLC6A4

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-116940571-A Benzisoxazole derivative and use thereof 诺华股份有限公司 2023-10-24 — — CN disclosed
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