SCHEMBL7347484

SCHEMBL7347484

CCCCC(c1cc(Cl)cc2ccn(C(=O)O)c12)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.35
SLC6A4 P31645 20/20 0.35
SLC6A3 Q01959 19/20 0.35

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
SCHEMBL7346880 0.85 OXER1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7351455 0.71 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3
SCHEMBL7328048 0.70 PTGER1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7357794 0.67 CNR2 (0.35)
SCHEMBL7331089 0.67 PTGER1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL9196790 0.65 CNR2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL7324684 0.64 PTGER1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7348377 0.63 GAA (0.37) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9198794 0.62 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7333320 0.62 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3

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 4 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
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