SCHEMBL1647378

SCHEMBL1647378

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccc(N2CCC(Cc3ccccc3)CC2)cc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.57
GRIN3B O60391 1/20 0.57
GRIN1 Q05586 1/20 0.57
GRIN2A Q12879 1/20 0.57
GRIN2B Q13224 1/20 0.57
GRIN2C Q14957 1/20 0.57
GRIN3A Q8TCU5 1/20 0.57
BACE1 P56817 9/20 0.50
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
BCHE P06276 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL1647376 1.00 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1646634 0.86 BACE1 (0.56) BACE1MAOB
SCHEMBL1646637 0.86 BACE1 (0.56) BACE1MAOB
SCHEMBL1645644 0.82 BACE1 (0.58) BACE1MAOB
SCHEMBL1645641 0.82 BACE1 (0.58) BACE1MAOB
SCHEMBL1647088 0.82 DRD4 (0.49) BACE1BCHEMAOAACHE
SCHEMBL1647085 0.82 DRD4 (0.49) BACE1BCHEMAOAACHE
Hydrochloric Acid SCHEMBL1645748 0.80 BACE1 (0.56) BACE1MAOB
Hydrochloric Acid SCHEMBL1645745 0.80 BACE1 (0.56) BACE1MAOB
SCHEMBL1645156 0.78 SLC6A2 (0.51) LMNAMAPT

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
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP disclosed