SCHEMBL4628134

SCHEMBL4628134

Oc1cccc(C(CN2CCN(CC3CCCCC3)CC2)C2(O)CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 0.55
SLC6A3 Q01959 12/20 0.55
SLC6A4 P31645 8/20 0.55

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
SCHEMBL13712104 0.88 SLC6A2 (0.72) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3952187 0.87 SLC6A2 (0.73) SLC6A2SLC6A3SLC6A4
SCHEMBL13712094 0.84 SLC6A2 (0.74) SLC6A2SLC6A3SLC6A4
Formaldehyde SCHEMBL27655937 0.84 SLC6A2 (0.69) SLC6A2SLC6A3SLC6A4
SCHEMBL4627442 0.84 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3956991 0.83 SLC6A2 (0.74) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3955125 0.83 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4
SCHEMBL4624806 0.78 SLC6A2 (0.52) SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3957628 0.78 SLC6A2 (0.53) SLC6A2SLC6A4
SCHEMBL13712096 0.77 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 EP claimed