SCHEMBL13622714

SCHEMBL13622714

c1ccc(CN[C@@H]2CCCC3(C2)OCCO3)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.45
OPRM1 P35372 3/20 0.45
OPRL1 P41146 2/20 0.45
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
BACE1 P56817 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
FABP6 P51161 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FYN P06241 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL803482 0.82 OPRM1 (0.56) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL2378639 0.79 GRIN2B (0.50) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL30942832 0.78 GRIN2B (0.43) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL24350665 0.78 GRIN2B (0.49) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL2376300 0.78 OPRM1 (0.51) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL26347105 0.78 OPRM1 (0.51) GRIN2BOPRM1OPRL1BCHEACHE
SCHEMBL13819197 0.75 FUCA1 (0.45) GRIN2BOPRM1OPRL1SIGMAR1
SCHEMBL1134382 0.75 FUCA1 (0.42) GRIN2BOPRM1OPRL1SIGMAR1
SCHEMBL30532010 0.75 FUCA1 (0.45) GRIN2BOPRM1OPRL1SIGMAR1
SCHEMBL3507722 0.75 FUCA1 (0.45) GRIN2BOPRM1OPRL1SIGMAR1

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