SCHEMBL20542016

SCHEMBL20542016

O=C(Nc1ccccc1-c1cc2ccc(CN3CCN(C(=O)O)CC3)cc2o1)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
FAAH O00519 6/20 0.42
BCHE P06276 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39

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
SCHEMBL20541987 0.90 S1PR1 (0.47) BACE1FAAHBCHES1PR1S1PR3
SCHEMBL20541856 0.90 BCHE (0.43) BACE1FAAHBCHES1PR1S1PR3
SCHEMBL21747496 0.90 FAAH (0.44) BACE1FAAHBCHES1PR1S1PR3
SCHEMBL21747485 0.89 BACE1 (0.49) BACE1FAAHBCHEDRD4KDM4E
SCHEMBL20542002 0.88 MCHR1 (0.45) FAAHS1PR1S1PR3DRD4MEN1
SCHEMBL30468259 0.88 BACE1 (0.46) BACE1FAAHBCHEMAPK8
Hydrochloric Acid SCHEMBL21747476 0.88 SIRT1 (0.45) BACE1BCHES1PR1S1PR3KDM4E
SCHEMBL20541734 0.88 FAAH (0.44) BACE1FAAHBCHES1PR1S1PR3
SCHEMBL20541911 0.86 SLC6A12 (0.47) BACE1FAAHBCHES1PR1S1PR3
SCHEMBL20541985 0.85 HDAC1 (0.49) BACE1FAAHS1PR1S1PR3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613735-B1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF NAT UNIV PUSAN IND UNIV COOP FOUND (KR) 2023-04-12 EP disclosed
EP-3613735-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF Pusan National University Industry - University Cooperation Foundation (KR) 2020-02-26 EP disclosed
WO-2018194372-A1 NOVEL SIRT 1 ACTIVATOR AND MEDICINAL USE THEREOF 부산대학교 산학협력단 2018-10-25 WO disclosed