SCHEMBL8554507

SCHEMBL8554507

O=C1NC(=O)c2c(CCCCCCCCN3CCCCC3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
CHEK1 O14757 3/20 0.46
WEE1 P30291 3/20 0.46
CDK1 P06493 1/20 0.46
TRPM2 O94759 1/20 0.44
PARP1 P09874 1/20 0.44
CCNE2 O96020 1/20 0.43
CDK4 P11802 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 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
SCHEMBL3174237 0.99 CHEK1 (0.47) SIGMAR1CHEK1WEE1CDK1TRPM2
SCHEMBL8557009 0.99 CHEK1 (0.47) SIGMAR1CHEK1WEE1CDK1TRPM2
SCHEMBL8559979 0.94 CHEK1 (0.43) SIGMAR1CHEK1WEE1CDK1TRPM2
SCHEMBL8557596 0.93 CHEK1 (0.44) SIGMAR1CHEK1WEE1CDK1TRPM2
SCHEMBL8559090 0.88 CHEK1 (0.49) SIGMAR1CHEK1WEE1CDK1PARP1
SCHEMBL8558051 0.88 CHEK1 (0.49) SIGMAR1CHEK1WEE1CDK1PARP1
SCHEMBL8554694 0.88 CHEK1 (0.49) SIGMAR1CHEK1WEE1CDK1PARP1
SCHEMBL8667745 0.87 WEE1 (0.40) CHEK1WEE1CDK1TRPM2PARP1
SCHEMBL4910767 0.86 CHEK1 (0.50) SIGMAR1CHEK1WEE1CDK1PARP1
SCHEMBL11206986 0.83 GSK3B (0.45) PARP1

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