SCHEMBL7870944

SCHEMBL7870944

CC(CC(=O)OC(C)C1CCCN1)c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.51
GPR88 Q9GZN0 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL6182634 0.74 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL6182630 0.74 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4
SCHEMBL6986107 0.72 SLC6A3 (0.64) SLC6A3SLC6A2SLC6A4
SCHEMBL7059883 0.71 FAAH (0.53) SLC6A3SLC6A2SLC6A4
SCHEMBL4563760 0.70 HIF1A (0.55) SLC6A3SLC6A2SLC6A4
SCHEMBL7121391 0.70 FAAH (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL27789463 0.69 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL10508162 0.69 ALDH1A1 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL7062987 0.69 FAAH (0.55) SLC6A3SLC6A2SLC6A4
SCHEMBL6981975 0.68 SLC6A3 (0.71) SLC6A3SLC6A2SLC6A4

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
US-6316490-B1 FOR THERAPY OF PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, DEMENTIA, CONTROLLING PAIN MERCK & CO., INC. 2001-11-13 US disclosed