SCHEMBL20041835

SCHEMBL20041835

CCCC(O)C1CCN(C)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
GNAI3 P08754 2/20 0.32
GNAO1 P09471 2/20 0.32
GNAI1 P63096 2/20 0.32
SLC6A3 Q01959 1/20 0.32
GLB1 P16278 1/20 0.31
TACR2 P21452 1/20 0.31

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
SCHEMBL6027356 0.89 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1GLB1
SCHEMBL14837985 0.88 NCF1 (0.35) NCF1GNAI3GNAO1GNAI1SLC6A3
SCHEMBL20041954 0.80 NCF1 (0.33) NCF1
SCHEMBL22738276 0.80 DRD2 (0.40)
SCHEMBL8504951 0.78
SCHEMBL7876684 0.77
SCHEMBL23714265 0.77 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1SLC6A3
SCHEMBL22400186 0.77 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1SLC6A3
SCHEMBL21725542 0.77 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1SLC6A3
SCHEMBL22680846 0.77 NCF1 (0.37) NCF1GNAI3GNAO1GNAI1SLC6A3

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
EP-2454234-B1 3-PHENOXYMETHYLPYRROLIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-04-11 EP disclosed