SCHEMBL6786116

SCHEMBL6786116

O=C(CCCCN1CCC1)Nc1cccc(-c2n[nH]c(=O)c3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.52
ROCK1 Q13464 2/20 0.52
HPGD P15428 1/20 0.49
TERT O14746 2/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
NAMPT P43490 1/20 0.47
PARP1 P09874 2/20 0.47
CHRNA7 P36544 1/20 0.47

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 SCHEMBL6787362 0.99 ROCK2 (0.51) ROCK2ROCK1HPGDTERTGSK3A
SCHEMBL6787974 0.98 ROCK2 (0.54) ROCK2ROCK1HPGDTERTGSK3A
SCHEMBL6783523 0.97 ROCK2 (0.54) ROCK2ROCK1HPGDTERTGSK3A
SCHEMBL6788660 0.97 ROCK2 (0.54) ROCK2ROCK1HPGDTERTGSK3A
Hydrochloric Acid SCHEMBL6787215 0.96 ROCK2 (0.53) ROCK2ROCK1HPGDTERTGSK3A
Hydrochloric Acid SCHEMBL6788507 0.96 ROCK2 (0.53) ROCK2ROCK1HPGDTERTGSK3A
SCHEMBL6782608 0.93 ROCK2 (0.50) ROCK2ROCK1HPGDTERTGSK3A
SCHEMBL6792465 0.93 HPGD (0.47) ROCK2ROCK1HPGDGSK3AGSK3B
Hydrochloric Acid SCHEMBL6786673 0.93 L3MBTL1 (0.51) ROCK2ROCK1HPGDTERTGSK3A
Hydrochloric Acid SCHEMBL6789569 0.92 HPGD (0.47) ROCK2ROCK1HPGDGSK3AGSK3B

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