SCHEMBL7348013

SCHEMBL7348013

CN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2C1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
LMNA P02545 3/20 0.49
PDE4B Q07343 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
WDR5 P61964 1/20 0.47

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
SCHEMBL7351282 0.87 HPGD (0.57) LMNAPDE4BALDH1A1GAAHTT
SCHEMBL7352861 0.82 PDE4B (0.69) PDE4BGAA
SCHEMBL7349544 0.82 KMT2A (0.53) ALDH1A1GAAKDM4EL3MBTL1
SCHEMBL7352845 0.81 MAPT (0.58) LMNAALDH1A1GAAHTTWDR5
SCHEMBL7349938 0.81 LMNA (0.53) LMNAALDH1A1GAAHTT
SCHEMBL7348971 0.81 HPGD (0.55) LMNAPDE4BALDH1A1GAAHTT
SCHEMBL7348484 0.80 PDE4A (0.53) LMNAPDE4BALDH1A1
SCHEMBL530767 0.79 RXFP1 (0.79) RXFP1LMNAALDH1A1KDM4EHTT
SCHEMBL7351009 0.78 HPGD (0.57) LMNAPDE4B
SCHEMBL7352773 0.77 RAB9A (0.48) LMNAPDE4BALDH1A1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed