SCHEMBL7348484

SCHEMBL7348484

COc1cc(C(=O)N2CCN(C)Cc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SIRT6 Q8N6T7 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.48
ROCK2 O75116 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 3/20 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
SCHEMBL7349544 0.86 KMT2A (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7348149 0.84 PDE4B (0.69) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7352132 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7023524 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7019383 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL7333735 0.81 AVPR1A (0.66)
SCHEMBL7351282 0.80 HPGD (0.57) PDE4BPDE4DMEN1KMT2AALDH1A1
SCHEMBL520107 0.80 SIRT6 (0.61) MEN1KMT2ASIRT6ALDH1A1MAPT
SCHEMBL7348013 0.80 RXFP1 (0.51) PDE4BALDH1A1LMNA
SCHEMBL7351009 0.78 HPGD (0.57) PDE4BMEN1KMT2AMAPTLMNA

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