SCHEMBL8109896

SCHEMBL8109896

O=c1[nH]c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2o1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.69
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
GRIN2D O15399 3/20 0.61
GRIN3B O60391 3/20 0.61
GRIN2A Q12879 3/20 0.61
GRIN2B Q13224 3/20 0.61
GRIN2C Q14957 3/20 0.61
GRIN3A Q8TCU5 3/20 0.61
CCR3 P51677 1/20 0.57
SIGMAR1 Q99720 1/20 0.53
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL8100582 0.93 GRIN1 (0.66) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL8109942 0.90 GRIN1 (0.74) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL8100829 0.86 DRD2 (0.53) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL4675791 0.84 GRIN1 (0.71) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL7402955 0.84 MAOB (0.70) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL8545088 0.83 GRIN1 (0.64) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL8546370 0.83 GRIN1 (0.82) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL6163800 0.82 GRIN1 (0.62) GRIN1MEN1LMNAMAPTKMT2A
SCHEMBL8116065 0.79 HTR1A (0.67) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8109444 0.79 SIGMAR1 (0.58) GRIN1MEN1KMT2ASIGMAR1DRD2

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-0673933-B1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR (FR) 2000-11-08 EP disclosed
US-5534511-A AFFINITY FOR SIGMA RECEPTORS, ANTIINFLAMMATORY, TREATMENT OF ARTHRITIS ADIR ET COMPAGNIE (FR) 1996-07-09 US disclosed
EP-0673933-A1 Aminoalkyl benzoxazolinones and benzothiazolinones process for their preparation and compositions containing them ADIR ET COMPAGNIE (FR) 1995-09-27 EP disclosed