SCHEMBL13622840

SCHEMBL13622840

CCCOCC1CCC(N2CCC(N3C(=O)CO[C@H]4CCCC[C@@H]43)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.45
OPRM1 P35372 10/20 0.45
OPRK1 P41145 3/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1134340 0.92 OPRL1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL1134343 0.92 OPRL1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL1134342 0.92 OPRL1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL1134406 0.92 OPRL1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL13618237 0.92 OPRL1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL1134350 0.92 OPRM1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL1134375 0.92 OPRM1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL13618226 0.92 OPRM1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL1134376 0.92 OPRM1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL1134403 0.90 OPRM1 (0.38) OPRL1OPRM1OPRK1

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