SCHEMBL7315767

SCHEMBL7315767

COC(=O)C1=C(C)NC(C)=C(c2nc(CN3CCN(c4ccccc4OC)CC3)ns2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.51
ADRA2A P08913 3/20 0.51
ADORA3 P0DMS8 3/20 0.51
ADRA1A P35348 3/20 0.51
CHRM2 P08172 2/20 0.51
HTR1A P08908 2/20 0.51
DRD1 P21728 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
OPRM1 P35372 2/20 0.51
DRD3 P35462 2/20 0.51
SLC6A3 Q01959 2/20 0.51
PGR P06401 1/20 0.51
CHRM1 P11229 1/20 0.51
TBXA2R P21731 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
HIF1A Q16665 3/20 0.49
MEN1 O00255 3/20 0.49
CYP1A2 P05177 3/20 0.49

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
SCHEMBL10369052 0.94 DRD3 (0.45) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL10369051 0.94 DRD3 (0.45) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL10367782 0.91 DRD3 (0.43) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL7317593 0.86 ABCB1 (0.51) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL7319573 0.82 MAPT (0.60) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL10366377 0.80 DRD3 (0.46) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL10366379 0.80 DRD3 (0.46) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL7538582 0.80 MAPT (0.67) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL10414967 0.79 ADRA1A (0.68) ABCB1ADRA2AADORA3ADRA1ACHRM2
SCHEMBL7309680 0.78 CYP1A2 (0.65) ABCB1ADRA2AADORA3ADRA1ACHRM2

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 4 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
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP claimed
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