SCHEMBL7319281

SCHEMBL7319281

COC(=O)C1=C(C)NC(C)=C(c2nc(CN3CCCCC3)no2)C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.47
CACNA1C Q13936 2/20 0.44
CACNA1F O60840 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
ABCB1 P08183 2/20 0.43
ADRA2A P08913 3/20 0.41
ADRA1A P35348 3/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL10367146 0.91 MEN1 (0.37) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7313818 0.87 ADRA2A (0.45) CACNA1CCACNA1FCACNA1DCACNA1SABCB1
SCHEMBL7315909 0.87 ABCB1 (0.57) ADORA3CACNA1CABCB1ADRA2AADRA1A
SCHEMBL10367338 0.87 ADORA3 (0.34) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10995365 0.81 ADORA3 (0.55) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10368230 0.79 ABCB1 (0.48) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10368228 0.79 ABCB1 (0.48) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL10366138 0.79 CACNA1F (0.41) CACNA1CCACNA1FCACNA1DCACNA1SADRA2A
SCHEMBL7317593 0.78 ABCB1 (0.51) ADORA3CACNA1CABCB1ADRA2AADRA1A
SCHEMBL10368511 0.76 ABCB1 (0.46) ADORA3CACNA1CCACNA1FCACNA1DCACNA1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US claimed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP claimed
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed