Potassium Ion

Potassium Ion

SCHEMBL8400982

Cc1ccc2c(c1)N(CC(N)=O)C(=O)C(N(C(N)=O)c1cccc(C(=O)[O-])c1)CC2C1CCCCC1.[K+]

nearest known ligand 0.43

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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 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.43
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL8399432 0.92 CCKBR (0.51) CCKBRKDM4EMAPTPKMHPGD
SCHEMBL8913795 0.91 CCKBR (0.51) CCKBRKDM4EMAPTPKMHPGD
SCHEMBL8403003 0.88 CCKBR (0.48) CCKBRL3MBTL1
SCHEMBL8398591 0.83 CCKBR (0.42) CCKBR
SCHEMBL8398586 0.83 CCKBR (0.65) CCKBR
SCHEMBL8403199 0.82 CCKBR (0.42) CCKBRNPSR1
SCHEMBL8913276 0.81 CCKBR (0.40) CCKBR
SCHEMBL8917130 0.81 CCKBR (0.41) CCKBR
SCHEMBL8402207 0.80 CCKBR (0.39) CCKBR
SCHEMBL8403197 0.77 CCKBR (0.39) CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed