SCHEMBL7400856

SCHEMBL7400856

C1C2CC3CC1CC([C@@H]1CO1)(C2)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
TSHR P16473 1/20 0.36
STAT6 P42226 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7403616 1.00 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7401855 1.00 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7733789 0.83
SCHEMBL7608394 0.78 LMNA (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL153487 0.78 LMNA (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL343664 0.74 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7734543 0.74 PKM (0.45) NPC1ALDH1A1RAB9A
Phosphoric Acid SCHEMBL906787 0.68 GAA (0.43)
SCHEMBL5968334 0.64
SCHEMBL3551149 0.63 GRIN2D (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777660-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 EP disclosed
US-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 WO disclosed