SCHEMBL30834535

SCHEMBL30834535

C=CC(=O)N1CC(C)NC(C)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.38
▸ CHRNB2 P17787 5/20 0.33
▸ CHRNA3 P32297 5/20 0.33
▸ CHRNA4 P43681 5/20 0.33
▸ CHRNB3 Q05901 5/20 0.33
▸ CHRNA6 Q15825 5/20 0.33
▸ KRAS P01116 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ACHE P22303 1/20 0.32

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
SCHEMBL10138954 0.80 — —
SCHEMBL21794792 0.79 BIRC2 (0.42) JAK3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL21543186 0.79 BIRC2 (0.42) JAK3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL20315135 0.79 BIRC2 (0.42) JAK3CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25205555 0.77 JAK3 (0.45) JAK3ACHE
SCHEMBL18232330 0.77 TEAD1 (0.36) JAK3KRASBTKACHE
SCHEMBL25976400 0.75 JAK3 (0.38) JAK3KRASBTKACHE
SCHEMBL9700171 0.75 SMN1; SMN2 (0.46) —
Nanofin SCHEMBL29027515 0.74 CYP2C9 (0.43) JAK3BTK
SCHEMBL21543557 0.73 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 — — CN disclosed
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