SCHEMBL5327730

SCHEMBL5327730

CC(C)NC1(c2ccccc2)CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SSTR4 P31391 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
SCHEMBL23023788 0.92 OPRM1 (0.47) SLC6A4
SCHEMBL28320698 0.83 SSTR4 (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL294762 0.79 OPRM1 (0.61) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL24997817 0.78 ALDH1A1 (0.41) SLC6A4
Hydrochloric Acid SCHEMBL28148666 0.78 OPRM1 (0.59) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL294583 0.77 OPRM1 (0.63) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL6114268 0.75 GRIN2D (0.49) GRIN2DGRIN3BGRIA1GRIA2GRIA3
Eticyclidine SCHEMBL66697 0.74 GRIN2D (0.57) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL26031783 0.73 HDAC3 (0.39) SLC6A4SLC6A3
SCHEMBL23595634 0.73 LMNA (0.34) SSTR4

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-2007141600-A1 CURRENT DEPENDENT NMDA ANTAGONISTS BARTH FREDERIK H (DE) 2007-12-13 WO disclosed