SCHEMBL6782608

SCHEMBL6782608

CN1CCN(CCCCC(=O)Nc2cccc(-c3n[nH]c(=O)c4ccccc34)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.50
NAMPT P43490 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PARP1 P09874 2/20 0.48
ROCK1 Q13464 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
PDE4B Q07343 1/20 0.47
TERT O14746 1/20 0.46
HPGD P15428 1/20 0.46

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 SCHEMBL6786673 0.99 L3MBTL1 (0.51) ROCK2NAMPTL3MBTL1ALDH1A1PARP1
SCHEMBL6787974 0.93 ROCK2 (0.54) ROCK2PARP1ROCK1GSK3AGSK3B
SCHEMBL6786116 0.93 ROCK2 (0.52) ROCK2NAMPTPARP1ROCK1GSK3A
SCHEMBL6788660 0.93 ROCK2 (0.54) ROCK2PARP1ROCK1GSK3AGSK3B
Hydrochloric Acid SCHEMBL6787362 0.93 ROCK2 (0.51) ROCK2NAMPTPARP1ROCK1GSK3A
SCHEMBL6783523 0.93 ROCK2 (0.54) ROCK2PARP1ROCK1GSK3AGSK3B
Hydrochloric Acid SCHEMBL6788507 0.92 ROCK2 (0.53) ROCK2ALDH1A1PARP1ROCK1GSK3A
Hydrochloric Acid SCHEMBL6787215 0.92 ROCK2 (0.53) ROCK2ALDH1A1PARP1ROCK1GSK3A
SCHEMBL6792465 0.92 HPGD (0.47) ROCK2PARP1ROCK1GSK3AGSK3B
Hydrochloric Acid SCHEMBL6789569 0.91 HPGD (0.47) ROCK2PARP1ROCK1GSK3AGSK3B

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