SCHEMBL14636500

SCHEMBL14636500

Nc1cncc2c1cnn2CCN1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.53

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
SCHEMBL6069255 0.81 SIGMAR1 (0.52) SIGMAR1
SCHEMBL6069778 0.79 SIGMAR1 (0.50) SIGMAR1
SCHEMBL14636216 0.78
SCHEMBL15081228 0.73 XDH (0.38)
SCHEMBL5423409 0.73 SIGMAR1 (0.51) SIGMAR1
SCHEMBL1741552 0.72 PKM (0.39)
SCHEMBL6069601 0.70 MCHR1 (0.52) SIGMAR1
SCHEMBL14630638 0.70 SIGMAR1 (1.00) SIGMAR1
SCHEMBL14638984 0.70 SIGMAR1 (0.40) SIGMAR1
SCHEMBL14636643 0.70 SIGMAR1 (1.00) SIGMAR1

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
EP-2734524-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-05-28 EP disclosed
WO-2013010950-A1 PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS, THEIR PREPARATION AND USE AS SIGMA LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-01-24 WO disclosed