SCHEMBL4777518

SCHEMBL4777518

CN1CCCC[C@H]1C(O)c1cccc(-c2ccccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
PRMT5 O14744 5/20 0.39
WDR77 Q9BQA1 5/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL8222692 1.00 SCN9A (0.41) SCN9AHTR1AHTR7PRMT5WDR77
SCHEMBL4725097 0.87 DPP4 (0.42) ABL1BCR
SCHEMBL8211104 0.87 DPP4 (0.42) ABL1BCR
SCHEMBL4795928 0.86 HTR1A (0.39) SCN9AHTR1AHTR7HTR6ALDH1A1
SCHEMBL4726619 0.84 DAGLB (0.42) HTR1AHTR7PRMT5WDR77CTSL
SCHEMBL4726621 0.84 DAGLB (0.42) HTR1AHTR7PRMT5WDR77CTSL
SCHEMBL4776087 0.82 ROCK2 (0.42)
SCHEMBL4776097 0.82 ROCK2 (0.42)
SCHEMBL4781769 0.80 KDM4D (0.45) SCN9AKDM4E
SCHEMBL1797593 0.77 CHRNB4 (0.50)

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed