SCHEMBL8559795

SCHEMBL8559795

O=C1NC(=O)c2c(CCCCCC3COCCN3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CCNE2 O96020 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CAMK2B Q13554 1/20 0.31
CAMK2G Q13555 1/20 0.31
CAMK2D Q13557 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31

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
SCHEMBL8556088 0.95 KDM4E (0.33) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL10914947 0.78 GSK3B (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11206986 0.78 GSK3B (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11015946 0.78 GSK3B (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10712855 0.78 GSK3B (0.45) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8559097 0.76 SLC6A2 (0.36) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL8554701 0.76 SLC6A2 (0.36) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL8558055 0.76 SLC6A2 (0.36) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL8559805 0.76 SLC6A2 (0.36) KDM4EALDH1A1HPGDMAPK10HSD17B10
SCHEMBL8559704 0.76 SLC6A2 (0.36) KDM4EALDH1A1HPGDMAPK10HSD17B10

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 5 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
EP-0614455-A1 VITAMIN D AMIDE DERIVATIVES. RES INST MEDICINE CHEM (US) 1994-09-14 EP 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