SCHEMBL6596186

SCHEMBL6596186

O=C(NCc1cccn1-c1cc2cc(C(=O)O)c(=O)[nH]c2cc1Cl)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.43
GRIA2 P42262 3/20 0.43
GRIA3 P42263 3/20 0.43
GRIA4 P48058 3/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRIK3 Q13003 1/20 0.38
GRIK4 Q16099 1/20 0.38
GRIK5 Q16478 1/20 0.38

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
SCHEMBL6597918 0.87 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL6597213 0.85 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6598164 0.79 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL6598151 0.77 FPR2 (0.39) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL6598356 0.74 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6596000 0.73 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6600127 0.73 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6598030 0.72 GRIA1 (0.81) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6594408 0.69 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6375949 0.68 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4GRIK1

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-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed