SCHEMBL6877440

SCHEMBL6877440

CN(C)c1ccnc(N[C@H]2CC[C@@H](N(CCOCc3ccccc3)C(=O)O)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.40
MAPK9 P45984 5/20 0.40
MAPK10 P53779 1/20 0.40
DRD2 P14416 1/20 0.39
PYGL P06737 1/20 0.37
ACHE P22303 3/20 0.36
IDH1 O75874 1/20 0.36
BACE1 P56817 2/20 0.35
MAPK1 P28482 1/20 0.35
JAK3 P52333 1/20 0.35
EPHX2 P34913 1/20 0.35
PRMT5 O14744 1/20 0.35
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MCHR1 Q99705 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
SCHEMBL6877450 1.00 MAPK8 (0.40) MAPK8MAPK9MAPK10DRD2PYGL
SCHEMBL6868816 0.87 CNR1 (0.39) MAPK8MAPK9MAPK10JAK3MAPK14
SCHEMBL6879152 0.86 DRD2 (0.42) MAPK8MAPK9MAPK10DRD2ACHE
SCHEMBL6879155 0.86 DRD2 (0.42) MAPK8MAPK9MAPK10DRD2ACHE
SCHEMBL6876646 0.81 MAPK8 (0.42) MAPK8MAPK9MAPK10DRD2ACHE
SCHEMBL6876639 0.81 MAPK8 (0.42) MAPK8MAPK9MAPK10DRD2ACHE
SCHEMBL6875935 0.79 EHMT2 (0.39) PYGLACHEALDH1A1LMNAHTT
SCHEMBL6875943 0.79 EHMT2 (0.39) PYGLACHEALDH1A1LMNAHTT
SCHEMBL6867773 0.79 ALDH1A1 (0.54) MAPK8MAPK9MAPK10ACHEALDH1A1
SCHEMBL6878045 0.79 HRH4 (0.42) MAPK8MAPK9MAPK10DRD2JAK3

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