SCHEMBL6923316

SCHEMBL6923316

CCC(C)OP(=O)(O)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.36
GRIN2D O15399 4/20 0.36
GRIN3B O60391 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

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
SCHEMBL6922994 0.88 CA12 (0.37) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7068989 0.87 AR (0.41)
SCHEMBL6928605 0.83 HPRT1 (0.31) GRIN1
SCHEMBL6926886 0.80
SCHEMBL6929441 0.80
SCHEMBL6923314 0.78 GRIN2D (0.42) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL6928590 0.78 DAO (0.46) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7739895 0.78 AKR1C3 (0.36) GRIN1
SCHEMBL7742775 0.76 CYP1A2 (0.40) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8340390 0.75 GRIA1 (0.43) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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
US-6596709-B1 For treatment of Alzheimer's disease, schizophrenia, amyotrophic lateral sclerosis, and Huntington's chorea LES LABORATOIRES SERVIER (FR) 2003-07-22 US disclosed
US-6518258-B1 6-sulphamoyl -3-quinolyphosphonic acid compounds LES LABORATOIRES SERVIER (FR) 2003-02-11 US disclosed
US-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed