SCHEMBL30985158

SCHEMBL30985158

CC(C)(C)OC(=O)N1CCC2(CCN(CC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
ALDH1A1 P00352 4/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.49
GPR119 Q8TDV5 10/20 0.48
HTT P42858 1/20 0.42

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
SCHEMBL30981045 0.94 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30985212 0.93 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30985071 0.93 MAPT (0.61) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30985104 0.93 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30981158 0.92 MAPT (0.59) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL21786064 0.91 MAPT (0.75) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL29986651 0.89 MAPT (0.75) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30984815 0.89 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL30985098 0.88 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2GPR119
SCHEMBL10035910 0.88 MAPT (0.80) MAPTALDH1A1LMNASMN1; SMN2GPR119

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
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed