SCHEMBL6200738

SCHEMBL6200738

COC1=NC=C(CCC(=O)OCCC#N)C(c2ccc([N+](=O)[O-])cc2)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 3/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 2/20 0.32
GUSB P08236 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7953512 0.75 SMN1; SMN2 (0.40) ADRA1ASMN1; SMN2ALDH1A1MAPK1CACNA1F
SCHEMBL6196130 0.75 SMN1; SMN2 (0.40) ADRA1ASMN1; SMN2ALDH1A1MAPK1CACNA1F
SCHEMBL6200742 0.65 ADRA1A (0.36) ADRA1ASMN1; SMN2ALDH1A1CACNA1DADORA3
SCHEMBL7239931 0.63 CACNA1B (0.48) ADRA1AALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL7239516 0.62 CACNA1B (0.49) ADRA1AALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL6196597 0.62 ADORA3 (0.48) SMN1; SMN2ALDH1A1ADORA3MAPTGUSB
SCHEMBL7236173 0.62 CACNA1B (0.66) ADRA1ACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL7236535 0.61 CACNA1B (0.46) ADRA1ACACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9691612 0.60 ADORA3 (0.47) ADRA1AALDH1A1CACNA1FCACNA1DCACNA1S
SCHEMBL6197219 0.60 MAPT (0.43) SMN1; SMN2ALDH1A1TDP1MAPK1MAPT

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