SCHEMBL30911128

SCHEMBL30911128

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1c([N+](=O)[O-])cnn1C1COC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 13/20 0.45
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PRKCQ Q04759 1/20 0.38
▸ ABCB1 P08183 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL14800478 0.85 GPR119 (0.48) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL14801172 0.85 GPR119 (0.48) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL14800480 0.85 GPR119 (0.48) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL30867765 0.85 GPR119 (0.51) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL30911135 0.85 GPR119 (0.46) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL30911167 0.85 GPR119 (0.46) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL38654099 0.84 GPR119 (0.46) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL30911096 0.84 SMARCA2 (0.48) GPR119SMARCA2SMARCA4PBRM1LMNA
SCHEMBL30867686 0.83 HSD11B1 (0.35) GPR119MET
SCHEMBL30911102 0.79 GPR119 (0.48) GPR119SMARCA2SMARCA4PBRM1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598915-A2 TETHERED HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2025-08-13 — — EP disclosed
WO-2024076670-A2 TETHERED HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 — — WO disclosed
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