SCHEMBL6789418

SCHEMBL6789418

CN(C)c1ccccc1C(=O)Nc1cccc2c1C(=O)N(c1cc(N)c(Cl)cc1F)C2=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 14/20 0.46
GRM1 Q13255 13/20 0.46
GRM7 Q14831 3/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC3 O15379 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
SCHEMBL7729097 0.73 CYP3A4 (0.56) GRM4GRM1CYP2C9
SCHEMBL6789421 0.71 FYN (0.39) GRM4GRM1GRM7CYP2C9HDAC3
SCHEMBL6678591 0.66 MAPT (0.50) GRM4GRM1GRM7
SCHEMBL6683298 0.66 CYP3A4 (0.60) GRM4GRM1CYP2C9
SCHEMBL28943005 0.64 HDAC1 (0.60) GRM1HDAC3
SCHEMBL28440762 0.63 AHR (0.55) GRM4GRM1GRM7
SCHEMBL7731694 0.63 ESR1 (0.46) GRM4GRM1
SCHEMBL4586421 0.62 MAPT (0.56)
SCHEMBL6815546 0.62 KMT2A (0.58) GRM4
SCHEMBL10726128 0.61 CASP3 (0.66) CYP1A2HDAC3

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
US-6716847-B2 ANTIALLERGENS, ANTIINFLAMMATORY ASTRAZENECA AB (SE) 2004-04-06 US disclosed
US-6593333-B1 Processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical conditions mediated by cytokines. Tumour Necrosis Factor (hereinafter TNF), for example TNF alpha , and various ASTRAZENECA AB (SE) 2003-07-15 US disclosed
EP-1117653-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-02-05 EP disclosed
EP-1117653-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2001-07-25 EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed