SCHEMBL6879155

SCHEMBL6879155

CN(C)c1ccnc(NC2CCC(CN(CCOCc3ccccc3)C(=O)O)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
MAPK8 P45983 6/20 0.39
MAPK9 P45984 5/20 0.39
MAPK10 P53779 1/20 0.39
MAPK14 Q16539 3/20 0.36
PRMT5 O14744 1/20 0.35
ACHE P22303 2/20 0.35
IDH1 O75874 1/20 0.35
NPY5R Q15761 1/20 0.35
BACE1 P56817 1/20 0.35
NAPEPLD Q6IQ20 1/20 0.34

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
SCHEMBL6879152 1.00 DRD2 (0.42) DRD2MAPK8MAPK9MAPK10MAPK14
SCHEMBL6867360 0.87 MAPK14 (0.39) DRD2MAPK14
SCHEMBL6867366 0.87 MAPK14 (0.39) DRD2MAPK14
SCHEMBL6877440 0.86 MAPK8 (0.40) DRD2MAPK8MAPK9MAPK10MAPK14
SCHEMBL6877450 0.86 MAPK8 (0.40) DRD2MAPK8MAPK9MAPK10MAPK14
SCHEMBL6876646 0.80 MAPK8 (0.42) DRD2MAPK8MAPK9MAPK10MAPK14
SCHEMBL6876639 0.80 MAPK8 (0.42) DRD2MAPK8MAPK9MAPK10MAPK14
SCHEMBL6879138 0.80 EHMT2 (0.38) DRD2NPY5R
SCHEMBL6879134 0.80 EHMT2 (0.38) DRD2NPY5R
SCHEMBL6873422 0.80 MAPK14 (0.40) DRD2MAPK8MAPK9MAPK10MAPK14

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
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed