SCHEMBL5264693

SCHEMBL5264693

COc1cc(OC)c(NC(=O)c2ccc(Oc3c(C)ccc4c3NCC[Si]4(C)C)o2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.46
FPR1 P21462 1/20 0.46
GPR183 P32249 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
S1PR4 O95977 7/20 0.36
S1PR2 O95136 3/20 0.36
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR1 P21453 1/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 2/20 0.32
DRD1 P21728 2/20 0.32
HTR2A P28223 2/20 0.32
OPRM1 P35372 2/20 0.32
CACNA1F O60840 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL5265320 0.91 S1PR4 (0.39) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5265403 0.87 GNRHR (0.48) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5264689 0.85 GNRHR (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5264893 0.85 GNRHR (0.38) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL5265902 0.83 GNRHR (0.40) GNRHRFPR1GPR183GPR119ADORA3
SCHEMBL14395661 0.83 FPR1 (0.46) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5266538 0.81 GNRHR (0.51) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5268238 0.81 FPR1 (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5264316 0.81 FPR1 (0.47) GNRHRFPR1GPR183GPR119S1PR4
SCHEMBL5265772 0.80 FPR1 (0.46) GNRHRFPR1GPR183GPR119S1PR4

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