SCHEMBL7347472

SCHEMBL7347472

CCCCN1CCC(Cc2cc(Cl)cc3cc(C(=O)O)[nH]c23)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
KCNH2 Q12809 1/20 0.39
HRH4 Q9H3N8 4/20 0.39
ACHE P22303 2/20 0.39
HTR4 Q13639 2/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 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
SCHEMBL7346867 0.84 SLC6A2 (0.46) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL7347480 0.80 PRKAB2 (0.42) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL7347476 0.76 SLC6A2 (0.42) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL7351451 0.75 SLC6A2 (0.39) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL3252738 0.74 HRH4 (0.53) HRH4ALDH1A1
SCHEMBL7351448 0.72 SLC6A2 (0.40) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL7328039 0.71 HTR4 (0.41) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL7419692 0.71 HTR4 (0.40) SLC6A2SLC6A4KCNH2ACHEHTR4
SCHEMBL2454870 0.69 CYP2A13 (0.43) HRH4CYP2C9
SCHEMBL7346874 0.67 KCNH2 (0.46) KCNH2HTR4ALDH1A1

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