SCHEMBL1574067

SCHEMBL1574067

O=C(O)N1[C@@H]2COC[C@H]1C[C@@H](NCc1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP8 Q6V1X1 2/20 0.43
DPP9 Q86TI2 2/20 0.43
DPP7 Q9UHL4 2/20 0.43
GAA P10253 1/20 0.43
ACHE P22303 3/20 0.42
BACE1 P56817 3/20 0.42
BCHE P06276 2/20 0.42
FYN P06241 1/20 0.42
GRIN2B Q13224 2/20 0.42
DRD4 P21917 1/20 0.41
DPP4 P27487 1/20 0.40
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
LTA4H P09960 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1574069 1.00 MEN1 (0.44) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL21773164 0.88 MEN1 (0.55) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL1574043 0.88 MEN1 (0.55) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL21777609 0.88 MEN1 (0.55) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL1574041 0.88 MEN1 (0.55) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL21777608 0.88 MEN1 (0.55) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL21773167 0.88 MEN1 (0.55) MEN1MAPK1KMT2ADPP8DPP9
SCHEMBL23948575 0.80 GRIN2B (0.50) MEN1KMT2AACHEBACE1BCHE
SCHEMBL19583125 0.77 LTA4H (0.50) MEN1KMT2ADPP8DPP9DPP7
SCHEMBL17714473 0.77 LTA4H (0.50) MEN1KMT2ADPP8DPP9DPP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140085-B1 AZABICYCLOALKANES AS CCR5 MODULATORS PHIVCO UK LTD (GB) 2011-04-13 EP disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 US disclosed