SCHEMBL6875616

SCHEMBL6875616

COc1ccc2ccccc2c1CNC1CCC(Nc2nccc(N(C)C)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ACHE P22303 3/20 0.41
APP P05067 1/20 0.39
BCHE P06276 1/20 0.39
SIRT2 Q8IXJ6 7/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39
ADRA2A P08913 1/20 0.39
MCHR1 Q99705 1/20 0.39
MAPT P10636 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL6875610 1.00 KDM1A (0.46) KDM1AMAOASMN1; SMN2DPP8DPP7
SCHEMBL6464818 0.89 SMN1; SMN2 (0.46) KDM1AMAOASMN1; SMN2DPP8DPP7
SCHEMBL6878199 0.89 SMN1; SMN2 (0.46) KDM1AMAOASMN1; SMN2DPP8DPP7
SCHEMBL6879316 0.88 MAPK8 (0.43) ACHEBACE1ADRA2AMCHR1MAPK8
SCHEMBL6879311 0.88 MAPK8 (0.43) ACHEBACE1ADRA2AMCHR1MAPK8
SCHEMBL6869183 0.86 KDM1A (0.44) KDM1AMAOASMN1; SMN2ACHEAPP
SCHEMBL6869175 0.86 KDM1A (0.44) KDM1AMAOASMN1; SMN2ACHEAPP
SCHEMBL6877433 0.82 ACHE (0.42) ACHEAPPBCHEKMT2ABACE1
SCHEMBL6877439 0.82 ACHE (0.42) ACHEAPPBCHEKMT2ABACE1
SCHEMBL6867944 0.82 ADRA2A (0.42) ACHEKMT2ABACE1ADRA2AMCHR1

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