SCHEMBL7442192

SCHEMBL7442192

CCOC(=O)CCCNc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.51
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MGLL Q99685 2/20 0.43
POLB P06746 1/20 0.43
PDE5A O76074 1/20 0.43
ELANE P08246 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 1/20 0.42
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 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
SCHEMBL14570539 0.84 TOP2A (0.53) TOP2AMAPTKDM4EALDH1A1POLB
SCHEMBL16166309 0.82 POLB (0.57) MAPTKDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL11404912 0.82 MAPT (0.45) MAPTKDM4EALDH1A1MGLLPOLB
SCHEMBL4823915 0.81 TOP2A (0.51) TOP2AMAPTKDM4EALDH1A1POLB
SCHEMBL15383209 0.81 MAPT (0.57) TOP2AMAPTKDM4EALDH1A1POLB
SCHEMBL23673315 0.81 MAPT (0.51) TOP2AMAPTKDM4EALDH1A1POLB
SCHEMBL23673305 0.81 TOP2A (0.51) TOP2AMAPTKDM4EALDH1A1POLB
SCHEMBL15899524 0.81 MAPT (0.62) MAPTKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5009825 0.81 TOP2A (0.64) TOP2AMAPTKDM4EALDH1A1PDE5A
SCHEMBL7654478 0.80 MCHR1 (0.41) MAPTKDM4EALDH1A1MGLLPOLB

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
EP-1098888-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2001-05-16 EP disclosed
WO-2000004000-A1 PIPERAZINONE DERIVATIVES AND THEIR USES LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed