SCHEMBL6743480

SCHEMBL6743480

CN(C)CC1(C)CCCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SLC6A3 Q01959 11/20 0.34
SLC6A4 P31645 10/20 0.34
SLC6A2 P23975 9/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6743483 1.00 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6780587 0.98 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6780583 0.98 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18733753 0.94 GRIN2D (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5803979 0.78 GRIN1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3531548 0.77 GRIN1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28301399 0.76 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10576162 0.75 EED (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28747959 0.75 GRIN1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3539164 0.73 GRIN1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322593-B1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES GRUENENTHAL GMBH (DE) 2004-07-28 EP disclosed
EP-1322593-A1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES Grünenthal GmbH (DE) 2003-07-02 EP disclosed
WO-2002026694-A1 O-SUBSTITUTED 6-METHYL-TRAMADOL DERIVATIVES Grünenthal GmbH (DE) 2002-04-04 WO disclosed