SCHEMBL7347480

SCHEMBL7347480

CCCCN1CCC(Cc2cc(Cl)cc3c(C(=O)O)c[nH]c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR4 Q13639 3/20 0.40
ACHE P22303 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
NR4A2 P43354 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR3E A5X5Y0 1/20 0.39

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
SCHEMBL7346874 0.83 KCNH2 (0.46) HTR4ALDH1A1KCNH2
SCHEMBL7347472 0.80 SLC6A2 (0.40) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7351451 0.73 SLC6A2 (0.39) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7351448 0.73 SLC6A2 (0.40) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7347476 0.72 SLC6A2 (0.42) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7328039 0.72 HTR4 (0.41) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7419692 0.71 HTR4 (0.40) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7346867 0.69 SLC6A2 (0.46) SLC6A2SLC6A4HTR4ACHEMEN1
SCHEMBL7404032 0.67 HTR4 (0.40) SLC6A2SLC6A4HTR4ACHECYP2D6
SCHEMBL7399775 0.67 HTR4 (0.40) SLC6A2SLC6A4HTR4ACHECYP2D6

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-0664794-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP claimed
WO-1994008965-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO claimed
US-5726187-A N-alkylpiperidinyl-4-methyl carboxylic esters/amides of condensed ring systems as 5-HT4 receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1998-03-10 US disclosed
EP-0664794-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-08-02 EP disclosed
WO-1994008965-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed