SCHEMBL29279131

SCHEMBL29279131

CC(C)(CCCCc1ccc(N)cc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.41
▸ SIGMAR1 Q99720 5/20 0.38
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ ESRRG P62508 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL4600115 0.75 MAOB (0.44) MAOBSIGMAR1
SCHEMBL29054876 0.72 KCNJ1 (0.46) CYP1A2
SCHEMBL23044930 0.70 CYP1A2 (0.33) CYP1A2
SCHEMBL15954401 0.70 MAOB (0.47) MAOB
SCHEMBL28042762 0.69 HSD11B1 (0.42) HSP90AA1
SCHEMBL13526966 0.69 MAOB (0.57) MAOBGFER
SCHEMBL30483417 0.68 MAOB (0.48) MAOBGRM2GRM3ESRRGGFER
SCHEMBL5031225 0.68 LMNA (0.59) SIGMAR1
SCHEMBL5480690 0.68 FAAH (0.44) SIGMAR1
SCHEMBL27648358 0.67 KDM4E (0.33) CYP1A2

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-117580592-A Compounds for targeting bruton's tyrosine kinase degradation 渤健马萨诸塞州股份有限公司 2024-02-20 — — CN disclosed
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