SCHEMBL18409265

SCHEMBL18409265

CCc1cnc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1CC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.52
GRM5 P41594 11/20 0.52
WNT3A P56704 1/20 0.49
PDK4 Q16654 1/20 0.47
GPR119 Q8TDV5 3/20 0.47
CYP11B2 P19099 1/20 0.46
NAMPT P43490 1/20 0.44

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
SCHEMBL18409268 0.91 GRM1 (0.52) GRM1GRM5WNT3APDK4GPR119
SCHEMBL17614636 0.86 GRM1 (0.52) GRM1GRM5WNT3APDK4GPR119
SCHEMBL25480363 0.85 GRM1 (0.51) GRM1GRM5WNT3APDK4GPR119
SCHEMBL23703974 0.84 GRM1 (0.53) GRM1GRM5WNT3APDK4GPR119
SCHEMBL30097390 0.83 GRM1 (0.52) GRM1GRM5WNT3APDK4GPR119
SCHEMBL23730450 0.83 GRM1 (0.52) GRM1GRM5WNT3APDK4GPR119
SCHEMBL16272023 0.81 GRM1 (0.59) GRM1GRM5WNT3APDK4GPR119
SCHEMBL19203191 0.81 GRM1 (0.53) GRM1GRM5WNT3APDK4GPR119
SCHEMBL18409266 0.80 GRM1 (0.42) GRM1GRM5WNT3APDK4GPR119
SCHEMBL30703657 0.80 GRM1 (0.46) GRM1GRM5WNT3APDK4GPR119

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
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 WO disclosed