SCHEMBL457491

SCHEMBL457491

CC(C)(C)OC(=O)N[C@@]1(c2ncc(OCCC3CCNCC3)cn2)CNC[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
FPR2 P25090 1/20 0.34
CHRM3 P20309 5/20 0.33
CHRM2 P08172 4/20 0.33
CHRM1 P11229 4/20 0.33
NTRK1 P04629 3/20 0.32
ABL1 P00519 1/20 0.32
RORC P51449 3/20 0.32
DHODH Q02127 1/20 0.32
CHEK2 O96017 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
SCHEMBL458010 0.92 ITGB3 (0.34) ITGB3ITGA2BFPR2DHODHCHEK2
SCHEMBL460033 0.89 RET (0.33) NTRK1RORC
SCHEMBL459944 0.84 NTRK1 (0.34) NTRK1RORC
SCHEMBL457723 0.84 NTRK1 (0.34) NTRK1RORC
SCHEMBL459071 0.81 NTRK1 (0.33) NTRK1RORC
SCHEMBL459362 0.80
SCHEMBL457628 0.80 GPR119 (0.34) CHEK2
SCHEMBL463438 0.79 HTR2A (0.35)
SCHEMBL14722673 0.73 GPR119 (0.39)
SCHEMBL463286 0.72

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