SCHEMBL5265902

SCHEMBL5265902

CNc1nc(OC)c(NC(=O)c2ccc(Oc3c(C)ccc4c3NCC[Si]4(C)C)o2)c(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.40
CACNA1F O60840 1/20 0.40
CHRM4 P08173 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
TACR1 P25103 1/20 0.40
PTAFR P25105 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
AGTR1 P30556 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL5264893 0.92 GNRHR (0.38) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5271265 0.87 GNRHR (0.46) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5266705 0.85 GNRHR (0.46) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5265320 0.85 S1PR4 (0.39) GNRHRFPR1GPR183GPR119
SCHEMBL5315362 0.84 GNRHR (0.56) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5266691 0.84 GNRHR (0.62) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5264693 0.83 GNRHR (0.46) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5264279 0.81 GNRHR (0.48) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5267932 0.80 GNRHR (0.40) GNRHRCACNA1FCHRM4ADORA3CHRM1
SCHEMBL5263977 0.80 GNRHR (0.40) GNRHRCACNA1FCHRM4ADORA3CHRM1

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-1648906-B1 ORGANOSILICON COMPOUNDS AND THEIR USE TAKEDA CAMBRIDGE LTD (GB) 2007-10-03 EP claimed