SCHEMBL7348149

SCHEMBL7348149

COc1cc(C(=O)N2CCCCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.69
PDE4A P27815 1/20 0.69
PDE4C Q08493 1/20 0.69
PDE4D Q08499 1/20 0.69
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LMNA P02545 1/20 0.63
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
AVPR2 P30518 6/20 0.54
AVPR1A P37288 6/20 0.54
OXTR P30559 2/20 0.54
ATM Q13315 1/20 0.53

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
SCHEMBL7346893 0.86 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTAVPR2
SCHEMBL7348484 0.84 PDE4A (0.53) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7353031 0.83 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL29941834 0.82 PDE4A (1.00) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7018541 0.82 PDE4A (0.73) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL7024013 0.81 PDE4A (0.72) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7353521 0.81 AVPR1A (0.52) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL7349873 0.81 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL31058510 0.81 PDE4A (0.75) PDE4BPDE4APDE4CPDE4DLMNA
SCHEMBL5469273 0.80 MEN1 (0.69) PDE4BPDE4APDE4CPDE4DMEN1

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