SCHEMBL8558051

SCHEMBL8558051

O=C1NC(=O)c2c(CCCCCCCN3CCOCC3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.49
WEE1 P30291 7/20 0.49
CDK1 P06493 1/20 0.49
CCNE2 O96020 2/20 0.49
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
CAMK2B Q13554 2/20 0.49
CAMK2G Q13555 2/20 0.49
CAMK2D Q13557 2/20 0.49
CAMK2A Q9UQM7 2/20 0.49
PARP1 P09874 2/20 0.46
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR6 P50406 1/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL8554694 1.00 CHEK1 (0.49) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL8559090 1.00 CHEK1 (0.49) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL4910767 0.99 CHEK1 (0.50) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL8557009 0.89 CHEK1 (0.47) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL8554507 0.88 SIGMAR1 (0.47) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL3174237 0.86 CHEK1 (0.47) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL8667745 0.85 WEE1 (0.40) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL7983420 0.83 HTR1A (0.55) HTR1ADRD2SIGMAR1
SCHEMBL8557596 0.83 CHEK1 (0.44) CHEK1WEE1CDK1CCNE2CDK4
SCHEMBL8559979 0.82 CHEK1 (0.43) CHEK1WEE1CDK1CCNE2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575954-B1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI SRL (IT) 1998-09-02 EP disclosed
US-5424451-A Used as cholinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1995-06-13 US disclosed
US-5302593-A Aminoalkylcarbamic esters of eseroline suitable for use as chlorinesterase activity inhibitors MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1994-04-12 US disclosed
EP-0575954-A1 Aminoalkylcarbamic esters of eseroline suitable for use as cholinesterase acitivity inhibitors and relative preparation process MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-12-29 EP disclosed