SCHEMBL10366379

SCHEMBL10366379

COc1ccccc1N1CCN(Cc2noc(C3=C(C)NC(C)=C(C(=O)O)C3c3cccc([N+](=O)[O-])c3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
ABCB1 P08183 2/20 0.45
PGR P06401 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10366377 1.00 DRD3 (0.46) DRD3DRD2DRD4ABCB1PGR
SCHEMBL7317593 0.94 ABCB1 (0.51) DRD3DRD2ABCB1PGRCHRM2
SCHEMBL10368230 0.87 ABCB1 (0.48) DRD3ABCB1PGRCHRM2HTR1A
SCHEMBL10368228 0.87 ABCB1 (0.48) DRD3ABCB1PGRCHRM2HTR1A
SCHEMBL10369051 0.86 DRD3 (0.45) DRD3DRD2DRD4ABCB1PGR
SCHEMBL10369052 0.86 DRD3 (0.45) DRD3DRD2DRD4ABCB1PGR
SCHEMBL10369238 0.83 MEN1 (0.43) DRD3ABCB1PGRCHRM2HTR1A
SCHEMBL10369237 0.83 MEN1 (0.43) DRD3ABCB1PGRCHRM2HTR1A
SCHEMBL7315909 0.82 ABCB1 (0.57) DRD3DRD2ABCB1PGRCHRM2
SCHEMBL7315767 0.80 ABCB1 (0.51) DRD3DRD2ABCB1PGRCHRM2

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 1 patent. 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