SCHEMBL14636616

SCHEMBL14636616

Clc1nn(CCN2CCCCCC2)c2ncncc12

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.51

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
SCHEMBL14635580 0.79 SIGMAR1 (0.71) SIGMAR1
SCHEMBL14636547 0.79 SIGMAR1 (0.71) SIGMAR1
SCHEMBL21332769 0.70 PI4KA (0.39)
SCHEMBL10830950 0.70 BCHE (0.54) SIGMAR1
SCHEMBL14636643 0.68 SIGMAR1 (1.00) SIGMAR1
SCHEMBL14630638 0.68 SIGMAR1 (1.00) SIGMAR1
SCHEMBL15703420 0.67 SIGMAR1 (1.00) SIGMAR1
SCHEMBL14636070 0.67 SIGMAR1 (1.00) SIGMAR1
SCHEMBL15703455 0.65 SIGMAR1 (1.00) SIGMAR1
SCHEMBL15703348 0.65 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