SCHEMBL7401356

SCHEMBL7401356

CN1C2CCC1C(CC(=O)O)C(c1ccc(I)cc1)C2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.60
SLC6A3 Q01959 9/20 0.60
SLC6A2 P23975 7/20 0.60

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
SCHEMBL7404076 1.00 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL4220250 0.88 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL7401508 0.88 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL4219215 0.88 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL6207307 0.88 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL4219219 0.88 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL4220253 0.88 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL5731240 0.84 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2
SCHEMBL14173843 0.84 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2
SCHEMBL5731238 0.84 SLC6A3 (0.59) SLC6A4SLC6A3SLC6A2

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-0734385-A4 SUBSTITUTED 2-CARBOXYALKYL-3-(FLUOROPHENYL)-8-(3-HALOPROPEN-2-YL) NORTROPANES AND THEIR USE AS IMAGING AGENTS FOR NEURODEGENERATIVE DISORDERS GEN HOSPITAL CORP (US) 1997-05-07 EP disclosed
EP-0734385-A1 SUBSTITUTED 2-CARBOXYALKYL-3-(FLUOROPHENYL)-8-(3-HALOPROPEN-2-YL) NORTROPANES AND THEIR USE AS IMAGING AGENTS FOR NEURODEGENERATIVE DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 1996-10-02 EP disclosed
WO-1995011901-A9 SUBSTITUTED 2-CARBOXYALKYL-3-(FLUOROPHENYL)-8-(3-HALOPROPEN-2-YL) NORTROPANES AND THEIR USE AS IMAGING AGENTS FOR NEURODEGENERATIVE DISORDERS 1995-06-15 WO disclosed
WO-1995011901-A1 SUBSTITUTED 2-CARBOXYALKYL-3-(FLUOROPHENYL)-8-(3-HALOPROPEN-2-YL) NORTROPANES AND THEIR USE AS IMAGING AGENTS FOR NEURODEGENERATIVE DISORDERS THE GENERAL HOSPITAL CORPORATION (US) 1995-05-04 WO disclosed