SCHEMBL6792465

SCHEMBL6792465

O=C1CCN(CCCCC(=O)Nc2cccc(-c3n[nH]c(=O)c4ccccc34)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
ROCK2 O75116 4/20 0.47
ROCK1 Q13464 3/20 0.47
PARP1 P09874 4/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
PDE4B Q07343 1/20 0.44
ACHE P22303 1/20 0.44

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
Hydrochloric Acid SCHEMBL6789569 0.99 HPGD (0.47) HPGDROCK2ROCK1PARP1GSK3A
SCHEMBL6787974 0.93 ROCK2 (0.54) HPGDROCK2ROCK1PARP1GSK3A
SCHEMBL6786116 0.93 ROCK2 (0.52) HPGDROCK2ROCK1PARP1GSK3A
SCHEMBL6788660 0.92 ROCK2 (0.54) HPGDROCK2ROCK1PARP1GSK3A
Hydrochloric Acid SCHEMBL6787362 0.92 ROCK2 (0.51) HPGDROCK2ROCK1PARP1GSK3A
SCHEMBL6783523 0.92 ROCK2 (0.54) HPGDROCK2ROCK1PARP1GSK3A
SCHEMBL6782608 0.92 ROCK2 (0.50) HPGDROCK2ROCK1PARP1GSK3A
Hydrochloric Acid SCHEMBL6786673 0.91 L3MBTL1 (0.51) HPGDROCK2ROCK1PARP1GSK3A
Hydrochloric Acid SCHEMBL6788507 0.91 ROCK2 (0.53) HPGDROCK2ROCK1PARP1GSK3A
Hydrochloric Acid SCHEMBL6787215 0.91 ROCK2 (0.53) HPGDROCK2ROCK1PARP1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US claimed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP claimed