SCHEMBL23710686

SCHEMBL23710686

CCCN(C)c1ccc(C2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SLC18A3 Q16572 1/20 0.41
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
SPHK1 Q9NYA1 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
PSMB5 P28074 1/20 0.37
DRD2 P14416 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22313470 0.84 ALDH1A1 (0.46) ALDH1A1SLC18A3SPHK1NOS3NOS1
SCHEMBL8121053 0.77 SLC18A3 (0.60) ALDH1A1SLC18A3PSMB5KDM4E
SCHEMBL5146741 0.76 RAB9A (0.50) ALDH1A1SLC18A3NOS3NOS1NOS2
SCHEMBL10052123 0.75 SLC18A3 (0.58) ALDH1A1SLC18A3PSMB5KDM4E
SCHEMBL20210323 0.75 SLC18A3 (0.46) ALDH1A1SLC18A3NOS3NOS1NOS2
SCHEMBL9023189 0.74 SPHK1 (0.43) SLC18A3SPHK1
SCHEMBL23691297 0.74 HTT (0.43) ALDH1A1SLC18A3NOS3NOS1NOS2
SCHEMBL5144890 0.74 RAB9A (0.49) ALDH1A1SLC18A3NOS3NOS1NOS2
SCHEMBL26154043 0.72 SLC18A3 (0.56) ALDH1A1SLC18A3PSMB5KDM4E
SCHEMBL762444 0.72 ALDH1A1 (0.55) ALDH1A1KDM4E

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
WO-2021155317-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2021-08-05 WO disclosed