SCHEMBL7353031

SCHEMBL7353031

COc1cc(C(=O)N2CCCCc3ccccc32)ccc1N

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.75
PDE4B Q07343 1/20 0.75
PDE4C Q08493 1/20 0.75
PDE4D Q08499 1/20 0.75
LMNA P02545 1/20 0.68
AVPR2 P30518 10/20 0.65
AVPR1A P37288 9/20 0.65
TSHR P16473 3/20 0.62
ALDH1A1 P00352 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
OXTR P30559 4/20 0.58
RAB9A P51151 1/20 0.55

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
SCHEMBL29941834 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7022992 0.86 AVPR2 (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7018541 0.85 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7356848 0.85 AVPR2 (0.69) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7024013 0.84 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL31058510 0.84 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7352132 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7348149 0.83 PDE4B (0.69) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8562598 0.81 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7347092 0.79 AVPR2 (1.00) LMNAAVPR2AVPR1ATSHRALDH1A1

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