SCHEMBL31349299

SCHEMBL31349299

O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)n3)CC2)o1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ HTR1A P08908 2/20 0.44
▸ DRD2 P14416 7/20 0.43
▸ DRD3 P35462 7/20 0.43
▸ OPRM1 P35372 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DRD4 P21917 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ PHGDH O43175 1/20 0.38

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
SCHEMBL31349214 0.82 POLB (0.51) POLBL3MBTL1
SCHEMBL31349264 0.82 POLB (0.51) POLB
SCHEMBL31349261 0.79 SMN1; SMN2 (0.53) POLBL3MBTL1DRD4
SCHEMBL31349245 0.77 POLB (0.55) POLBL3MBTL1
SCHEMBL6858056 0.77 ALDH1A1 (0.54) POLBL3MBTL1
SCHEMBL31349219 0.77 POLB (0.57) POLBHTR1AL3MBTL1
SCHEMBL31349222 0.76 POLB (0.54) POLBL3MBTL1
SCHEMBL31349227 0.76 POLB (0.56) POLBL3MBTL1
SCHEMBL13219627 0.74 POLB (0.70) POLBL3MBTL1DRD4
SCHEMBL31349306 0.74 POLB (0.51) POLBL3MBTL1

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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