SCHEMBL7819618

SCHEMBL7819618

O=C1c2cccc(CP(=O)(O)O)c2CC1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
PGK1 P00558 3/20 0.34
PGK2 P07205 3/20 0.34
MAPK1 P28482 1/20 0.34
ACHE P22303 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.32

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
SCHEMBL8012342 0.80 ACHE (0.34) ACHECYP19A1
SCHEMBL7822661 0.78 AKR1B1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7847650 0.76 ACHE (0.34) ACHE
SCHEMBL7822287 0.76 ACHE (0.35) ACHECYP19A1
SCHEMBL7848848 0.72 KDM4E (0.40) SMN1; SMN2
SCHEMBL7819409 0.72 ALDH1A1 (0.49) ACP3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8555103 0.71 PIM1 (0.46) ACHECYP19A1
SCHEMBL8556821 0.69 ACHE (0.40) MAPK1ACHECYP19A1
SCHEMBL8558933 0.69 ACHE (0.40) ACHE
SCHEMBL8560121 0.69 ACHE (0.66) ACHECYP19A1

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-0880522-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES AMPA AND NMDA RECEPTORS ANTAGONISTS, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
US-6100264-A 5H, 10H-imidazo [1,2-A] indeno [1,2-E] pyrazin-4-one derivatives, their preparation, their intermediates and medicaments containing them RHONE-POULENC RORER, S.A. (FR) 2000-08-08 US disclosed
US-5990108-A USEFUL AS ANTAGONISTS OF THE ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID (AMPA) RECEPTOR, ALSO KNOWN AS THE QUISQUALATE RECEPTOR, AND AS ANTAGONISTS OF THE N-METHYL-D-ASPARTATE (NMDA) RECEPTOR RHONE POULENC RORER S.A. (FR) 1999-11-23 US disclosed
EP-0880522-A1 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1998-12-02 EP disclosed
WO-1997025328-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed