SCHEMBL29155913

SCHEMBL29155913

CC(C)(C)N(CC1(CCN)CCC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL1982449 0.81 — —
SCHEMBL14801604 0.80 USP2 (0.36) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1964999 0.78 USP2 (0.32) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL28589953 0.74 — —
SCHEMBL1979673 0.74 MEN1 (0.30) —
SCHEMBL23528206 0.73 MEN1 (0.36) ALDH1A1
SCHEMBL17352436 0.72 SLC6A2 (0.30) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1508965 0.72 MEN1 (0.31) —
SCHEMBL7621119 0.71 SIGMAR1 (0.34) —
SCHEMBL1986289 0.71 — —

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-117222626-A Substituted triazine compounds 安斯泰来制药株式会社 2023-12-12 — — CN disclosed
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