SCHEMBL30814822

SCHEMBL30814822

NCCNCCNCCNCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.76
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA12 O43570 1/20 0.58
CA4 P22748 1/20 0.58
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
PTPRF P10586 1/20 0.49
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN11 Q06124 1/20 0.49
KCNH2 Q12809 1/20 0.47
HTR2A P28223 1/20 0.46
IDO1 P14902 2/20 0.46
TSHR P16473 1/20 0.43

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
SCHEMBL6575468 1.00 CHRM2 (0.76) CHRM2CA1CA2CA12CA4
Hydrochloric Acid SCHEMBL8895503 0.98 CHRM2 (0.73) CHRM2CA1CA2CA12CA4
SCHEMBL1520064 0.97 CHRM2 (0.75) CHRM2CA1CA2CA12CA4
Acetic Acid SCHEMBL10437247 0.91 CHRM2 (0.64) CHRM2CA1CA2CA12CA4
SCHEMBL10874545 0.90 CHRM2 (0.76) CHRM2CA1CA2CA12CA4
SCHEMBL11597593 0.89 CHRM2 (0.79) CHRM2CA1CA2CA12CA4
SCHEMBL10045277 0.88 CHRM2 (0.90) CHRM2CA1CA2CA12CA4
Acetic Acid SCHEMBL9334204 0.88 CHRM2 (0.63) CHRM2CA1CA2CA12CA4
SCHEMBL9255649 0.87 KCNH2 (0.61) CHRM2CA1CA2CA12CA4
SCHEMBL9255201 0.85 KCNH2 (0.63) CHRM2CA1CA2CA12CA4

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
CN-122005879-A Modified GRPR antagonist peptides for cancer imaging and treatment 慕尼黑工业大学 2026-05-12 CN claimed
CN-122005879-A Modified GRPR antagonist peptides for cancer imaging and treatment 慕尼黑工业大学 2026-05-12 CN disclosed
CN-119907695-A Novel small gastrin-derived cholecystokinin 2 receptor binding molecules for imaging and targeted radiotherapy 慕尼黑工业大学 2025-04-29 CN disclosed
CN-117320759-A Radiopharmaceutical somatostatin receptor ligands and precursors thereof 慕尼黑工业大学 2023-12-29 CN disclosed