SCHEMBL6200742

SCHEMBL6200742

CCN1C(OC)=NC=C(C(=O)OCCC#N)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADORA3 P0DMS8 1/20 0.35
CACNA1D Q01668 1/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
MYLK Q15746 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
CASP3 P42574 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL8337661 0.72 ADRA1A (0.36) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL6197215 0.72 ADRA1A (0.36) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL6200141 0.72 MEN1 (0.51) MEN1KMT2AADORA3MAPTPOLB
SCHEMBL7240694 0.69 ADRA1A (0.41) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL6217186 0.68 ADRA1A (0.37) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL6196130 0.68 SMN1; SMN2 (0.40) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL7953512 0.68 SMN1; SMN2 (0.40) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL6782795 0.68 ADRA1A (0.36) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL7243873 0.67 ADRA1A (0.39) ADRA1AMEN1KMT2AADORA3CACNA1D
SCHEMBL7236540 0.66 ADRA1A (0.37) ADRA1AMEN1KMT2AADORA3CACNA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed