SCHEMBL29092429

SCHEMBL29092429

O=C1CCN(c2noc3ccc(CC4CCCN(C(=O)O)C4)cc23)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.34
▸ SCD5 Q86SK9 2/20 0.33
▸ BCHE P06276 4/20 0.33
▸ ACHE P22303 4/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ EED O75530 1/20 0.32
▸ DDB1 Q16531 2/20 0.32
▸ CRBN Q96SW2 2/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ SCD O00767 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
SCHEMBL29092816 0.95 BCHE (0.35) BCHEACHE
SCHEMBL29092604 0.93 BCHE (0.34) BCHEACHE
SCHEMBL27031189 0.88 BACE1 (0.41) BCHEDDB1CRBN
SCHEMBL29930570 0.88 BACE1 (0.41) BCHEDDB1CRBN
SCHEMBL27031231 0.87 PIM1 (0.40) BCHEACHEDDB1CRBN
SCHEMBL27031119 0.84 KDM2B (0.36) BCHEACHEDDB1CRBN
SCHEMBL27031242 0.83 CCR3 (0.34) BCHEACHEDDB1CRBN
SCHEMBL27031148 0.83 DDB1 (0.39) BCHEACHEDDB1CRBN
SCHEMBL27031092 0.83 BCHE (0.33) BCHEACHEDDB1CRBNPDCD1
SCHEMBL27031149 0.83 DDB1 (0.37) BCHEACHEDDB1CRBN

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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