SCHEMBL31349272

SCHEMBL31349272

O=[N+]([O-])c1ccc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)o1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ DRD2 P14416 3/20 0.50
▸ DRD4 P21917 3/20 0.50
▸ DRD3 P35462 3/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ DRD5 P21918 1/20 0.50
▸ SLC2A1 P11166 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTR1A P08908 3/20 0.42
▸ ADRA1D P25100 2/20 0.42
▸ ADRA1A P35348 2/20 0.42
▸ ADRA1B P35368 2/20 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
SCHEMBL31349306 0.87 POLB (0.51) POLBSLC2A1L3MBTL1LMNAMAPT
SCHEMBL31349251 0.86 POLB (0.60) POLBSLC2A1L3MBTL1LMNAMAPT
SCHEMBL13479639 0.86 POLB (0.60) POLBL3MBTL1
SCHEMBL31349290 0.81 POLB (0.60) POLBSLC2A1L3MBTL1
SCHEMBL31349269 0.81 POLB (0.60) POLBSLC2A1L3MBTL1
SCHEMBL31349213 0.81 POLB (0.60) POLBDRD4DRD5L3MBTL1MAPT
SCHEMBL13219627 0.81 POLB (0.70) POLBDRD4SLC2A1L3MBTL1LMNA
SCHEMBL31349218 0.81 POLB (0.63) POLBL3MBTL1LMNAMAPT
SCHEMBL31349226 0.80 POLB (0.58) POLBSLC2A1L3MBTL1LMNAMAPT
SCHEMBL31349225 0.80 POLB (0.58) POLBSLC2A1L3MBTL1

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-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 — — EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 — — WO disclosed
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