SCHEMBL4789103

SCHEMBL4789103

CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.50
▸ DPP8 Q6V1X1 2/20 0.50
▸ DPP9 Q86TI2 2/20 0.50
▸ DPP7 Q9UHL4 2/20 0.50
▸ RET P07949 8/20 0.49
▸ PREP P48147 1/20 0.48
▸ KDM4D Q6B0I6 1/20 0.47
▸ PANK3 Q9H999 4/20 0.46
▸ GRM4 Q14833 1/20 0.45
▸ CHRM4 P08173 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ CHRM2 P08172 2/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43

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
SCHEMBL30546199 0.90 GRM4 (0.52) RETKDM4DPANK3GRM4CHRM4
SCHEMBL26582234 0.90 GRM4 (0.52) RETKDM4DPANK3GRM4CHRM4
SCHEMBL952010 0.84 JAK3 (0.58) DPP4RETKDM4DJAK3BTK
SCHEMBL7078845 0.83 RET (0.57) DPP4RETKDM4DPANK3CHRM4
SCHEMBL5516092 0.83 ACACB (0.45) RETPANK3CHRM4JAK3BTK
SCHEMBL29921126 0.83 ACACB (0.45) RETPANK3CHRM4JAK3BTK
SCHEMBL22795648 0.83 ACACB (0.45) RETPANK3CHRM4JAK3BTK
SCHEMBL22795726 0.83 ACACB (0.45) RETPANK3CHRM4JAK3BTK
SCHEMBL5738130 0.83 ACACB (0.45) RETPANK3CHRM4JAK3BTK
SCHEMBL31286029 0.83 ACACB (0.45) RETPANK3CHRM4JAK3BTK

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-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 — — WO disclosed
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