SCHEMBL687466

SCHEMBL687466

CCOC(=O)C(C)N1CCCN(C(C)C(=O)OCC)CCN(C(C)C(=O)OCC)CCCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
OPRM1 P35372 3/20 0.38
OPRD1 P41143 3/20 0.38
OPRK1 P41145 1/20 0.38
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
PKM P14618 1/20 0.34
CASP6 P55212 1/20 0.33
CTSL P07711 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL4446108 0.94 SIGMAR1 (0.40) SIGMAR1OPRM1OPRD1OPRK1CHRM5
SCHEMBL2110264 0.91 SIGMAR1 (0.42) SIGMAR1OPRM1OPRD1CHRM5CHRM3
Hydrochloric Acid SCHEMBL7970534 0.89 SIGMAR1 (0.41) SIGMAR1OPRM1OPRD1CHRM5CHRM3
SCHEMBL3898658 0.85 ALDH1A1 (0.43) SLC6A2ALDH1A1LMNAMAPTHPGD
SCHEMBL4089646 0.82 ALDH1A1 (0.43) SLC6A2ALDH1A1LMNAMAPTHPGD
SCHEMBL28201107 0.82 ALDH1A1 (0.43) SLC6A2ALDH1A1LMNAMAPTHPGD
SCHEMBL6129180 0.82 ALDH1A1 (0.46) ALDH1A1LMNAMAPTHPGDRAB9A
SCHEMBL2961890 0.80 ALDH1A1 (0.42) SLC6A2SLC6A4ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL25423101 0.80 SIGMAR1 (0.43) SIGMAR1OPRM1OPRD1OPRK1CHRM5
Tetradecane SCHEMBL27779239 0.78 SIGMAR1 (0.39) SIGMAR1CHRM5CHRM3SLC6A2SLC6A4

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-8841384-B2 Material comprising polyazacycloalkanes, grafted on polypropylene fibres, its process of preparation, and process for removing metal cations from a liquid COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-09-23 US disclosed
EP-2109632-B1 MATERIAL COMPRISING POLYAZACYCLOALKANES GRAFTED ONTO POLYPROPYLENE FIBRES METHOD FOR PRODUCTION THEREOF AND METHOD FOR REMOVAL OF METAL CATIONS FROM A LIQUID COMMISSARIAT ENERGIE ATOMIQUE (FR) 2012-02-29 EP disclosed
US-20100059446-A1 MATERIAL COMPRISING POLYAZACYCLOALKANES, GRAFTED ON POLYPROPYLENE FIBRES, ITS PROCESS OF PREPARATION, AND PROCESS FOR REMOVING METAL CATIONS FROM A LIQUID COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-03-11 US disclosed