SCHEMBL458010

SCHEMBL458010

CC(C)(C)OC(=O)N[C@@]1(c2ncc(OCCC3CCNCC3)cn2)CNC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
DHODH Q02127 1/20 0.31
CHEK2 O96017 1/20 0.31
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.30

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
SCHEMBL457491 0.92 ITGB3 (0.34) ITGB3ITGA2BDHODHCHEK2FPR2
SCHEMBL457628 0.88 GPR119 (0.34) CHEK2SCN9A
SCHEMBL460033 0.81 RET (0.33) SCN9A
SCHEMBL458443 0.80
SCHEMBL458923 0.78
SCHEMBL458389 0.77
SCHEMBL463438 0.76 HTR2A (0.35)
SCHEMBL459944 0.74 NTRK1 (0.34)
SCHEMBL457723 0.74 NTRK1 (0.34)
SCHEMBL458011 0.73 ACACB (0.35) ITGB3ITGA2BDHODHCHEK2

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed