SCHEMBL6974503

SCHEMBL6974503

[N]C1CCCCC(CCc2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
TSHR P16473 1/20 0.44
EPHX1 P07099 2/20 0.44
KCNJ1 P48048 4/20 0.43
KCNH2 Q12809 3/20 0.43
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6979670 0.87 EPHX1 (0.41) HRH3EPHX1POLBLMNAGAA
SCHEMBL6975448 0.82 KCNJ1 (0.49) HRH3TSHRKCNJ1KCNH2MAOA
SCHEMBL6980576 0.80 KCNJ1 (0.50) HRH3TSHRKCNJ1KCNH2MAOA
SCHEMBL6968410 0.78 HRH3 (0.43) HRH3TSHREPHX1KCNJ1KCNH2
SCHEMBL6981221 0.77 POLB (0.45) POLB
SCHEMBL6976836 0.75 GAA (0.40) HRH3GAA
SCHEMBL15964106 0.71 KCNJ1 (0.56) HRH3TSHRKCNJ1KCNH2MAOA
SCHEMBL6978953 0.70 NR1H4 (0.36)
Hydrochloric Acid SCHEMBL14783255 0.70 KCNJ1 (0.55) HRH3TSHRKCNJ1KCNH2MAOA
SCHEMBL6975226 0.69 SLC18A3 (0.43) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed