SCHEMBL3936751

SCHEMBL3936751

COCCN1CCNC(OC)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.36
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
THRB P10828 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1992111 0.81 BIRC2 (0.44) GBA1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL1992110 0.81 BIRC2 (0.44) GBA1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL25698850 0.81 BIRC2 (0.44) GBA1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL28168310 0.79 BIRC2 (0.31)
SCHEMBL27523642 0.75 GBA1 (0.33) GBA1GRIN2DGRIN3BTHRBGRIN1
SCHEMBL15108644 0.74 BIRC2 (0.41) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL15108633 0.74 BIRC2 (0.41) GRIN2DGRIN3BTHRBGRIN1GRIN2A
SCHEMBL27649223 0.72
SCHEMBL27651519 0.72
SCHEMBL23657168 0.71 BIRC2 (0.41) GRIN2DGRIN3BTHRBGRIN1GRIN2A

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-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed