SCHEMBL8301729

SCHEMBL8301729

CCCCOC(=O)N1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.64
FAAH O00519 2/20 0.64
KMT2A Q03164 2/20 0.60
HRH2 P25021 1/20 0.59
HRH1 P35367 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52

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
SCHEMBL9279984 0.90 KMT2A (0.73) MGLLFAAHKMT2AHRH2HRH1
SCHEMBL6141536 0.86 KMT2A (0.74) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL27464372 0.86 MAPT (0.79) KMT2AHRH2HRH1SMN1; SMN2MEN1
SCHEMBL7012374 0.82 KMT2A (0.57) MGLLFAAHKMT2AHRH2HRH1
SCHEMBL1734128 0.81 MGLL (0.63) MGLLFAAHALDH1A1CYP1A2CYP2D6
SCHEMBL3996605 0.81 MGLL (0.63) MGLLFAAHALDH1A1CYP1A2CYP2D6
SCHEMBL4380521 0.80 MGLL (0.65) MGLLFAAHKMT2ASMN1; SMN2MEN1
SCHEMBL1144551 0.80 MGLL (0.62) MGLLFAAHKMT2ASMN1; SMN2MEN1
SCHEMBL7009534 0.80 KMT2A (0.60) MGLLFAAHKMT2AHRH2HRH1
SCHEMBL3028258 0.80 ALDH1A1 (0.49) MGLLFAAHKMT2AHRH2HRH1

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-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed