SCHEMBL7986744

SCHEMBL7986744

CN(CCCCNCCCCCO)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
BCHE P06276 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CHRM2 P08172 2/20 0.41
USP2 O75604 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNH2 Q12809 1/20 0.41
MMP2 P08253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL8034855 1.00 MEN1 (0.45) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8030791 1.00 MEN1 (0.45) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8032634 0.98 MEN1 (0.46) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8034871 0.97 MEN1 (0.49) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8029043 0.95 MEN1 (0.50) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8030659 0.94 ALDH1A1 (0.47) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8029013 0.94 ALDH1A1 (0.47) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL7986638 0.94 ALDH1A1 (0.47) MEN1KMT2ABCHEKDM4ECHRM2
SCHEMBL8029031 0.94 MEN1 (0.45) MEN1KMT2ABCHEKDM4ECHRM2
Hydrochloric Acid SCHEMBL8029202 0.92 ALDH1A1 (0.46) MEN1KMT2ABCHEKDM4ECHRM2

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
US-6214833-B1 MADE BY ACYLATION ZAMBON GROUP S.P.A. (IT) 2001-04-10 US disclosed
EP-0970075-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 2000-01-12 EP disclosed
WO-1998043972-A1 PYRIMIDINONE-1,3-OXATHIOLANE DERIVATIVES WITH ANTIVIRAL ACTIVITY ZAMBON GROUP S.P.A. (IT) 1998-10-08 WO disclosed