SCHEMBL29068350

SCHEMBL29068350

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCCCC1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
FAAH O00519 2/20 0.53
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 2/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1581647 0.83 SLC18A3 (0.48) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL6599138 0.82 SLC18A3 (0.47) KMT2AALDH1A1LMNAMAPTHPGD
SCHEMBL25255721 0.81 CYP1A2 (0.46) CYP1A2CYP2D6FAAHMGLL
SCHEMBL25279026 0.80 ALDH1A1 (0.54) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL2748801 0.80 ALDH1A1 (0.71) CYP1A2CYP2D6FAAHPOLBMGLL
SCHEMBL27727100 0.80 CYP1A2 (0.56) CYP1A2CYP2D6FAAHMEN1POLB
SCHEMBL28539303 0.79 RIPK1 (0.47) KMT2AALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL31421732 0.78 ALDH1A1 (0.44) MEN1POLBKMT2AMGLLALDH1A1
SCHEMBL28408689 0.78 ALDH1A1 (0.54) MEN1POLBKMT2AALDH1A1LMNA
SCHEMBL18424173 0.77 CYP1A2 (0.73) CYP1A2CYP2D6FAAHMEN1POLB

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-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 CN disclosed