SCHEMBL31715409

SCHEMBL31715409

O=C(NCC1CCCC1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MGLL Q99685 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 1/20 0.52
FAAH O00519 2/20 0.47
ACHE P22303 1/20 0.47
ADAMTS4 O75173 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
HTT P42858 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
EPHX1 P07099 1/20 0.45
GAA P10253 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
SCHEMBL31715640 0.97 MGLL (0.56) ALDH1A1MGLLL3MBTL1POLBFAAH
SCHEMBL31715825 0.94 MGLL (0.59) ALDH1A1MGLLL3MBTL1POLBFAAH
SCHEMBL31715470 0.88 MGLL (0.53) ALDH1A1MGLLL3MBTL1FAAHACHE
SCHEMBL3334590 0.87 MGLL (0.52) ALDH1A1MGLLL3MBTL1FAAHACHE
SCHEMBL24578734 0.86 MGLL (0.54) ALDH1A1MGLLL3MBTL1POLBFAAH
SCHEMBL19692646 0.85 FAAH (0.53) ALDH1A1MGLLFAAHACHEHTT
SCHEMBL19706321 0.83 MGLL (0.48) ALDH1A1MGLLL3MBTL1POLBFAAH
SCHEMBL4433101 0.82 ALDH1A1 (0.52) ALDH1A1MGLLL3MBTL1ADAMTS4ADAMTS5
SCHEMBL8271206 0.81 MGLL (0.48) ALDH1A1MGLLL3MBTL1POLBFAAH
SCHEMBL22370828 0.80 MGLL (0.47) ALDH1A1MGLLPOLBFAAHACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026107328-A1 AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2026-05-21 WO disclosed
WO-2025226892-A1 SPIROCYCLE-CONTAINING DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONE AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2025-10-30 WO disclosed
WO-2025226895-A1 AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS COMPRISING SUBSTITUTED OR MODIFIED DIAMINOMETHYLENE PYRIMIDINE-2,4,6-TRIONES SEPTERNA, INC. (US) 2025-10-30 WO disclosed