SCHEMBL25345810

SCHEMBL25345810

CN(CCCNc1c(Br)ccc(F)c1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
SSTR4 P31391 1/20 0.35
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
CA14 Q9ULX7 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
NR1D1 P20393 2/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PDK2 Q15119 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL25346494 0.88 METAP2 (0.36) METAP2SSTR4FPR3FPR2KDM4E
SCHEMBL25345126 0.83 METAP2 (0.38) METAP2SSTR4FPR3FPR2CA14
SCHEMBL31376654 0.82 CHRM2 (0.41) METAP2FPR3FPR2MAPTSMN1; SMN2
SCHEMBL25342692 0.78 MAPT (0.38) METAP2FPR3FPR2MAPTSMN1; SMN2
SCHEMBL25344845 0.77 ALDH1A1 (0.46) METAP2FPR3FPR2KDM4EMAPT
SCHEMBL25344251 0.76 METAP2 (0.36) METAP2FPR3FPR2MAPTSMN1; SMN2
SCHEMBL25344735 0.76 MEN1 (0.39) METAP2MAPTSMN1; SMN2
SCHEMBL25342497 0.75 METAP2 (0.38) METAP2SSTR4FPR3FPR2CA14
SCHEMBL25341607 0.75 METAP2 (0.41) METAP2SSTR4FPR3FPR2CA14
SCHEMBL25343679 0.73 ALDH1A1 (0.60) KDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed