SCHEMBL11031319

SCHEMBL11031319

O=C1CNCC(CCc2ccccc2)N1O

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.42

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
SCHEMBL18114452 0.81 MEN1 (0.42) SLC18A2
SCHEMBL9876918 0.77 SLC18A2 (0.49) SLC18A2
SCHEMBL18114396 0.76 OPRM1 (0.41)
SCHEMBL18114380 0.74 SIGMAR1 (0.47)
SCHEMBL18114384 0.73 MEN1 (0.42)
SCHEMBL18114387 0.71 ALDH1A1 (0.44)
SCHEMBL1914402 0.71 GSK3A (0.43)
SCHEMBL2025086 0.71 GSK3A (0.43)
SCHEMBL1190776 0.70 CA1 (0.48)
SCHEMBL1191156 0.70 CA1 (0.48)

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-0086678-B1 PROCESS FOR THE PREPARATION OF 2-ACYL-1,3,4,6,7,11B-2H-HEXAHYDRO-4-PYRAZINO(2,1-A)ISOQUINOLINONES AND INTERMEDIATES ELF SANOFI (FR) 1985-07-03 EP disclosed
EP-0086678-A1 Process for the preparation of 2-acyl-1,3,4,6,7,11b-2H-hexahydro-4-pyrazino(2,1-a)isoquinolinones and intermediates ELF SANOFI (FR) 1983-08-24 EP disclosed