SCHEMBL4585570

SCHEMBL4585570

O=[N+]([O-])c1ccc(O)cc1CN(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.47
SLC6A4 P31645 10/20 0.47
SNCA P37840 2/20 0.40
YTHDC1 Q96MU7 1/20 0.40
SLC6A3 Q01959 8/20 0.39
PDK1 Q15118 1/20 0.39
HTR6 P50406 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
SCHEMBL4585074 0.82 SLC6A2 (0.52) SLC6A2SLC6A4YTHDC1SLC6A3PDK1
SCHEMBL2877349 0.76 SLC6A2 (0.73) SLC6A2SLC6A4YTHDC1SLC6A3
SCHEMBL1427866 0.74 ALDH1A1 (0.48) SLC6A2SLC6A4SNCASLC6A3
SCHEMBL27570737 0.72 ALOX5 (0.53) SNCA
Hydrochloric Acid SCHEMBL15012233 0.70 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL15012232 0.70 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL6307462 0.69 SLC6A2 (0.56) SLC6A2SLC6A4YTHDC1SLC6A3
SCHEMBL5673194 0.68 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL5428676 0.68 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6307333 0.68 SLC6A2 (0.54) SLC6A2SLC6A4YTHDC1SLC6A3

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
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP disclosed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP disclosed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO disclosed