SCHEMBL7741441

SCHEMBL7741441

CCC(C)OP(=O)(O)c1cc2cc(-n3cccc3)c(Cl)cc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7740364 0.85 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6927158 0.82 GRIN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7740662 0.80 GRIA1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7740615 0.80 PRKAG1 (0.36)
SCHEMBL6926212 0.80 GRIN1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7741437 0.79 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6926878 0.79 CA1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6922994 0.79 CA12 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7739851 0.78 PRKAG1 (0.38)
SCHEMBL6926403 0.78 DAO (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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