Potassium Ion

Potassium Ion

SCHEMBL1344467

O=C([O-])CC1C(=O)N(CCCN2CCCCC2)CCN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1.[K+]

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.40
PYGL P06737 9/20 0.40
GPR183 P32249 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC2A1 P11166 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL2934941 0.91 GPR183 (0.41) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL2934934 0.91 GPR183 (0.41) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1345062 0.89 GPR183 (0.42) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1344625 0.89 GPR183 (0.42) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1344626 0.89 GPR183 (0.42) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1345065 0.89 GPR183 (0.42) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1344624 0.89 GPR183 (0.42) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1343943 0.89 GPR183 (0.41) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1343946 0.89 GPR183 (0.41) CCR2PYGLGPR183NPC1RAB9A
SCHEMBL1343725 0.89 GPR183 (0.41) CCR2PYGLGPR183NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed