SCHEMBL7348377

SCHEMBL7348377

CCCCC(c1cccc2c1NC(C(=O)O)C2)C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
OPRD1 P41143 1/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
MME P08473 4/20 0.32
ACE P12821 3/20 0.32
SMYD3 Q9H7B4 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31

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
SCHEMBL7351455 0.84 SLC6A2 (0.34) OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL9197318 0.77 OPRD1 (0.34) OPRD1SMYD3
SCHEMBL7346880 0.71 OXER1 (0.36) OPRD1SLC6A2SLC6A4SMYD3SLC6A3
SCHEMBL7357794 0.69 CNR2 (0.35) OPRD1SMYD3CACNA2D1CACNA1BCACNB1
SCHEMBL26010585 0.69 GAA (0.53) GAAMAPTMMEACE
SCHEMBL9196790 0.69 CNR2 (0.42) OPRD1SLC6A2SLC6A4SLC6A3
SCHEMBL7328890 0.66 OPRD1 (0.32) OPRD1CACNA2D1CACNA1BCACNB1
SCHEMBL27513720 0.66 GAA (0.56) GAAMAPTOPRD1MMEACE
SCHEMBL28781349 0.64 GAA (0.57) GAAMAPTMMEACECACNA1B
Hydrochloric Acid SCHEMBL9198794 0.64 SLC6A4 (0.36) OPRD1SLC6A2SLC6A4SMYD3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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