SCHEMBL13622787

SCHEMBL13622787

O=C(CBr)N(C1CCNCC1)[C@@H]1CC2(CC[C@H]1O)OCCO2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.30

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
SCHEMBL13622772 0.81 SLC6A4 (0.31)
SCHEMBL1134445 0.73 SMN1; SMN2 (0.44)
SCHEMBL1134416 0.73 SMN1; SMN2 (0.44)
SCHEMBL11244272 0.65 OPRD1 (0.33) OPRD1
SCHEMBL11244277 0.65 OPRD1 (0.33) OPRD1
SCHEMBL11244267 0.65 OPRD1 (0.33) OPRD1
SCHEMBL13623025 0.62 KDM1A (0.32)
SCHEMBL11248125 0.61 OPRD1 (0.32) OPRD1
SCHEMBL10521888 0.59 SLC6A12 (0.39)
SCHEMBL1309394 0.59 SLC6A4 (0.43) OPRD1

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