SCHEMBL13622772

SCHEMBL13622772

O=C(CBr)N(C1CCNCC1)[C@@H]1CCCC2(C1)OCCO2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31

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
SCHEMBL13622787 0.81 OPRD1 (0.30)
SCHEMBL13622767 0.71 SLC6A4 (0.34) SLC6A4
SCHEMBL13630982 0.68 SLC6A4 (0.34) SLC6A4
SCHEMBL13623335 0.68 SLC6A4 (0.34) SLC6A4
SCHEMBL5430139 0.67 LMNA (0.43)
SCHEMBL3240989 0.66 LMNA (0.42)
SCHEMBL13622839 0.64 SLC6A4 (0.42) SLC6A4
SCHEMBL1309394 0.63 SLC6A4 (0.43) SLC6A4
Hydrochloric Acid SCHEMBL22797839 0.62 SLC6A4 (0.43) SLC6A4
Hydrochloric Acid SCHEMBL22797917 0.61 SLC6A4 (0.43) SLC6A4

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
WO-2009136850-A1 MUSCARINIC RECEPTOR AGONITS USEFUL IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2009-11-12 WO disclosed