SCHEMBL13622785

SCHEMBL13622785

CCOC[C@H]1CC[C@@H](N2CCC(N)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.35
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
OPRK1 P41145 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
SCHEMBL14931970 1.00 CHRM1 (0.35) CHRM1GNAI3GNAO1GNAI1OPRM1
SCHEMBL14931971 1.00 CHRM1 (0.35) CHRM1GNAI3GNAO1GNAI1OPRM1
SCHEMBL14042635 0.82 OPRM1 (0.31) CHRM1GNAI3GNAO1GNAI1OPRM1
SCHEMBL1240986 0.81 SMYD3 (0.31)
SCHEMBL1240984 0.81 SMYD3 (0.31)
SCHEMBL17592377 0.81 SMYD3 (0.31)
SCHEMBL10203552 0.81 CTSL (0.32)
SCHEMBL20879747 0.80 MEN1 (0.41) CHRM1GNAI3GNAO1GNAI1OPRM1
Hydrochloric Acid SCHEMBL15520847 0.79 GNAI3 (0.31) GNAI3GNAO1GNAI1
SCHEMBL13618243 0.77 OPRM1 (0.35) CHRM1OPRM1OPRL1OPRK1

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