SCHEMBL5994923

SCHEMBL5994923

OC[C@H]1C=CC(n2cnc3c(Cl)ncnc32)C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 14/20 0.54
NR1I2 O75469 1/20 0.50
ALB P02768 1/20 0.50
PDE4D Q08499 1/20 0.50
ADORA2B P29275 2/20 0.40
AHCY P23526 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL6553481 1.00 ADCY5 (0.54) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL30969135 1.00 ADCY5 (0.54) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL5994918 1.00 ADCY5 (0.54) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL7592748 1.00 ADCY5 (0.54) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL7592747 1.00 ADCY5 (0.54) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL6553491 1.00 ADCY5 (0.54) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL7248842 0.85 ADCY5 (0.55) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL5997270 0.84 ADCY5 (0.74) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL5997273 0.84 ADCY5 (0.74) ADCY5NR1I2ALBPDE4DADORA2B
SCHEMBL111590 0.84 ADCY5 (0.74) ADCY5NR1I2ALBPDE4DADORA2B

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-7115590-B1 Phosphoramidate, and mono-, di-, and tri-phosphate esters of (1R, cis)-4-(6-amino-9H-purin-9-yl)-2-cyclopentene-1-methanol as antiviral agents UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2006-10-03 US disclosed
EP-1150988-B1 PHOSPHORAMIDATE, AND MONO-, DI-, AND TRI-PHOSPHATE ESTERS OF (1R, CIS)-4-(6-AMINO-9H-PURIN-9-YL)-2-CYCLOPENTENE-1-METHANOL AS ANTIVIRAL AGENTS GLAXO GROUP LTD (GB) 2003-05-28 EP disclosed