SCHEMBL7721796

SCHEMBL7721796

COOC(OC)(C(O)CN1CCCCC1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 4/20 0.43
CYP2D6 P10635 3/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 4/20 0.40
CHRM2 P08172 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
HTR1A P08908 2/20 0.40
OPRM1 P35372 2/20 0.40
KCNH2 Q12809 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 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
SCHEMBL7721806 0.88 MEN1 (0.45) KMT2AMEN1POLB
SCHEMBL7620791 0.74 HTT (0.33) KMT2AKDM4EALDH1A1
SCHEMBL465808 0.74 NPSR1 (0.52) NPSR1KMT2ACYP2D6TSHRHIF1A
SCHEMBL678931 0.71 KMT2A (0.48) NPSR1KMT2ACYP2D6TSHRHIF1A
SCHEMBL8459470 0.70 RAB9A (0.34) KMT2ATSHRHTR1AMEN1POLB
SCHEMBL7145599 0.68 KIF11 (0.38) KCNH2ALDH1A1
SCHEMBL7142440 0.67 TSHR (0.50) TSHRKCNH2LMNAPOLB
SCHEMBL4881797 0.66 MEN1 (0.58) NPSR1KMT2ACYP2D6TSHRKDM4E
SCHEMBL4890266 0.66 MEN1 (0.58) NPSR1KMT2ACYP2D6TSHRKDM4E
SCHEMBL7144701 0.66 DUT (0.52)

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-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed