SCHEMBL4421699

SCHEMBL4421699

CC(C)N1C(=O)N(C2CCN(C(=O)O)CC2)[C@H]2CCCC[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.40
OPRL1 P41146 12/20 0.40
GRM5 P41594 1/20 0.34
OPRK1 P41145 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CALCRL Q16602 1/20 0.31
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KDM5A P29375 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
SCHEMBL8224275 0.95 OPRM1 (0.47) OPRM1OPRL1OPRK1
SCHEMBL1928274 0.82 EPHX1 (0.45) ALDH1A1
SCHEMBL1929465 0.79 CHRM1 (0.51) OPRM1OPRL1MEN1KMT2A
SCHEMBL1929168 0.76 OPRM1 (0.38) OPRM1OPRL1GRM5OPRK1
SCHEMBL4424598 0.71 OPRM1 (0.45) OPRM1OPRL1
SCHEMBL23806264 0.70 GRM5 (0.41) OPRM1OPRL1GRM5ALDH1A1KMT2A
SCHEMBL3412261 0.66 L3MBTL3 (0.33) OPRM1OPRL1GRM5OPRK1
SCHEMBL3412257 0.66 L3MBTL3 (0.33) OPRM1OPRL1GRM5OPRK1
SCHEMBL3405677 0.66 L3MBTL3 (0.33) OPRM1OPRL1GRM5OPRK1
SCHEMBL24832949 0.66 GRM5 (0.39) GRM5ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035411-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed