SCHEMBL28787948

SCHEMBL28787948

CCNC1CCN(Cc2ccccc2)CC1.COc1ccccc1I

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
POLB P06746 1/20 0.65
ACHE P22303 10/20 0.60
BACE1 P56817 10/20 0.60
BCHE P06276 7/20 0.60
SIGMAR1 Q99720 5/20 0.55
SLC6A12 P48065 1/20 0.52

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
SCHEMBL27791660 0.86 BCHE (0.54) MEN1KMT2APOLBACHEBACE1
SCHEMBL2498286 0.84 ACHE (0.73) MEN1KMT2APOLBACHEBACE1
Hydrochloric Acid SCHEMBL2766858 0.83 ACHE (0.71) MEN1KMT2APOLBACHEBACE1
SCHEMBL28787947 0.80 ACHE (0.61) MEN1KMT2APOLBACHEBACE1
SCHEMBL6505462 0.78 CCR8 (0.70) MEN1KMT2APOLBACHEBACE1
SCHEMBL12652356 0.77 MEN1 (0.71) MEN1KMT2APOLBACHEBACE1
SCHEMBL7504191 0.76 BCHE (0.75) ACHEBACE1BCHE
SCHEMBL1908453 0.76 BCHE (0.75) ACHEBACE1BCHE
SCHEMBL1781710 0.76 BCHE (0.75) ACHEBACE1BCHE
SCHEMBL8487979 0.76 ACHE (0.69) MEN1KMT2APOLBACHEBACE1

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
CN-101842366-A Azacyclylisoquinolinone and azacyclylisoindolone derivatives as histamine-3 antagonists WYETH CORP 2010-09-22 CN disclosed