SCHEMBL7375569

SCHEMBL7375569

Cc1ccc(CC2CCN(CCOc3ccc(O)cc3)C2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
MAPT P10636 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
TMEM97 Q5BJF2 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
LTA4H P09960 6/20 0.52
HRH3 Q9Y5N1 1/20 0.50
MAOB P27338 1/20 0.50
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48

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
SCHEMBL7405065 0.93 TMEM97 (0.62) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Maleic Acid SCHEMBL7524481 0.92 LTA4H (0.52) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7406531 0.92 TMEM97 (0.61) GRIN2DGRIN3BMAPTGRIN1GRIN2A
SCHEMBL7380357 0.88 GRIN2B (0.55) GRIN2BTMEM97SIGMAR1LTA4HMAOB
Hydrochloric Acid SCHEMBL7374837 0.86 TMEM97 (0.61) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7505451 0.86 TMEM97 (0.70) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7400054 0.83 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7405581 0.83 TMEM97 (0.62) TMEM97SIGMAR1LTA4HHRH3MAOB
SCHEMBL7402701 0.83 MAOB (0.58) GRIN2DGRIN3BMAPTGRIN1GRIN2A
Hydrochloric Acid SCHEMBL7402211 0.82 TMEM97 (0.61) TMEM97SIGMAR1LTA4HHRH3MAOB

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-1997023202-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and on behalf of THE OREGON HEALTH SCIENCES UNIVERSITYA ND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-07-03 WO claimed