SCHEMBL4197218

SCHEMBL4197218

CC(C)[Si](OC1CCN([C@@H](c2c(Cl)cc(Oc3ccc(C(N)=O)cc3)cc2Cl)C2CCNC2=O)CC1)(C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.36
SCN9A Q15858 3/20 0.35
FPR2 P25090 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
BTK Q06187 1/20 0.32
PARP10 Q53GL7 4/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP16 Q8N5Y8 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PARP4 Q9UKK3 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
SCHEMBL1092032 1.00 CHEK2 (0.36) CHEK2SCN9AFPR2KMT2AMEN1
SCHEMBL1092734 0.87 HRH3 (0.40) SCN9AFPR2
SCHEMBL1093590 0.86 PARP10 (0.37) CHEK2SCN9AFPR2KMT2AOPRM1
SCHEMBL1092157 0.83 PDE4D (0.32)
SCHEMBL1092147 0.81 PSD (0.35) OPRD1ALDH1A1
SCHEMBL1091969 0.78 SCN1A (0.32)
SCHEMBL1093101 0.78 SCN1A (0.32)
SCHEMBL1094081 0.76 PDE4A (0.33)
SCHEMBL1092228 0.76 PDE4A (0.33)
SCHEMBL1093033 0.75 PSD (0.34) OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021336-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-02-11 EP disclosed
WO-2007127688-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed