SCHEMBL9705831

SCHEMBL9705831

CCOC(=O)CCCC(CN)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GABBR2 O75899 2/20 0.47
GABBR1 Q9UBS5 2/20 0.47
CYP1A2 P05177 2/20 0.47
F2 P00734 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TOP2A P11388 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F10 P00742 1/20 0.42
TBXAS1 P24557 2/20 0.42
MMP8 P22894 1/20 0.41

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
SCHEMBL28008276 0.88 CYP3A4 (0.52) CYP2D6CYP3A4CYP2C19CYP1A2F2
SCHEMBL28152981 0.86 CYP3A4 (0.53) CYP2D6CYP3A4CYP2C19CYP1A2F2
SCHEMBL28041491 0.84 CYP3A4 (0.49) CYP2D6CYP3A4CYP2C19CYP1A2F2
SCHEMBL11265857 0.83 L3MBTL1 (0.47) CYP1A2F2ALDH1A1F10
Hydrochloric Acid SCHEMBL5425827 0.82 L3MBTL1 (0.46) CYP1A2F2ALDH1A1F10
SCHEMBL27466587 0.82 CYP3A4 (0.54) CYP2D6CYP3A4CYP2C19CYP4F2CYP4A11
SCHEMBL5319563 0.82 GABBR2 (0.62) CYP2D6CYP3A4CYP2C19GABBR2GABBR1
SCHEMBL7708867 0.81 CYP3A4 (0.53) CYP2D6CYP3A4CYP2C19CYP1A2CYP4F2
Hydrochloric Acid SCHEMBL987303 0.81 GABBR2 (0.60) CYP2D6CYP3A4CYP2C19GABBR2GABBR1
SCHEMBL9068100 0.80 CYP3A4 (0.46) CYP2D6CYP3A4CYP2C19CYP1A2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220865-B1 LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1992-07-29 EP disclosed
US-4734410-A Lactam derivatives and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1988-03-29 US disclosed
EP-0220865-A2 Lactam derivatives, their preparation and their use as hypotensive agents SANKYO COMPANY LIMITED (JP) 1987-05-06 EP disclosed