SCHEMBL8481997

SCHEMBL8481997

C=CCN1CCC(O)(Cc2ccc(C)cc2)C(c2ccc(O)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.43
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
ADRA1A P35348 3/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 6/20 0.40
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36

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
SCHEMBL8485218 0.67 GRIN2B (0.42) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8487260 0.66 GRIN2B (0.41) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11711740 0.65 OPRM1 (0.44) MAPTDRD2DRD3DRD1OPRM1
SCHEMBL7286395 0.65 GRIN2B (0.59) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7286387 0.65 GRIN2B (0.59) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10753619 0.62 DRD3 (0.61) DRD2DRD3
SCHEMBL82136 0.62 SLC18A3 (0.45) DRD2DRD3DRD4
SCHEMBL7288999 0.61 GRIN2B (0.58) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8485944 0.61 GRIN2B (0.45) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7295407 0.61 GRIN2B (1.00) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed