SCHEMBL9705564

SCHEMBL9705564

CCOC(=O)CCCC(C#N)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ALOX5 P09917 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TOP2A P11388 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
MMP8 P22894 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.40
LTA4H P09960 1/20 0.39

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
Benzene SCHEMBL19210846 0.92 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL19233349 0.92 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL5425808 0.84 L3MBTL1 (0.46) CYP3A4CYP2D6CYP2C19ALDH1A1TDP1
SCHEMBL988882 0.82 TSHR (0.48) CYP3A4CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL27466587 0.81 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL6544458 0.81 SLC6A3 (0.41) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL7835269 0.80 HDAC1 (0.46) CYP2D6CYP4F2CYP4A11ALDH1A1GAA
SCHEMBL11263337 0.80 SMN1; SMN2 (0.45) CYP3A4ALDH1A1SMN1; SMN2TDP1POLB
SCHEMBL7708867 0.80 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11
SCHEMBL29756083 0.78 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C19CYP4F2CYP4A11

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