SCHEMBL7346871

SCHEMBL7346871

CCCCN1CCC(Cc2cccc3ccn(C(=O)O)c23)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
OXER1 Q8TDS5 1/20 0.44
RAB9A P51151 1/20 0.43
DRD4 P21917 1/20 0.40

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
SCHEMBL7347476 0.84 SLC6A2 (0.42) KCNH2
SCHEMBL7322803 0.83 KCNH2 (0.45) KCNH2RAB9ADRD4
SCHEMBL7357788 0.77 HTR7 (0.55) KCNH2RAB9A
SCHEMBL7346867 0.74 SLC6A2 (0.46) KCNH2RAB9A
SCHEMBL27550174 0.74 OXER1 (0.51) OXER1RAB9A
SCHEMBL7348366 0.74 KCNH2 (0.46) KCNH2RAB9ADRD4
SCHEMBL7383392 0.73 KCNH2 (0.51) KCNH2DRD4
SCHEMBL7324117 0.72 CHRM1 (0.48) KCNH2RAB9ADRD4
SCHEMBL7346874 0.72 KCNH2 (0.46) KCNH2
SCHEMBL27416355 0.71 KCNH2 (0.45) KCNH2RAB9ADRD4

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