SCHEMBL14399809

SCHEMBL14399809

CCC(=O)N1CCC(CNC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.50
EPHX1 P07099 3/20 0.50
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39

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
SCHEMBL24170768 0.84 ITGB3 (0.38) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL19766518 0.83 HSD11B1 (0.45)
SCHEMBL4569281 0.83 EPHX2 (0.48) EPHX2EPHX1
SCHEMBL24170967 0.83 ALDH1A1 (0.40) EPHX2EPHX1
SCHEMBL13492942 0.81 EPHX2 (0.54) EPHX2EPHX1
SCHEMBL13024410 0.81 EPHX2 (0.54) EPHX2EPHX1
SCHEMBL4403505 0.79 EPHX2 (0.47) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL15371153 0.78 TPSAB1 (0.43)
SCHEMBL4518519 0.77 GNAI3 (0.51) EPHX2EPHX1GNAI3GNAO1GNAI1
SCHEMBL24509167 0.77 EPHX2 (0.50) EPHX2EPHX1

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
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed