SCHEMBL14340973

SCHEMBL14340973

NC(=O)NC12CC3C[C@H](CCC[C@H]3C1)C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.40
EPHX1 P07099 6/20 0.40
SIGMAR1 Q99720 4/20 0.37
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1149916 0.76 EPHX2 (0.67) EPHX2EPHX1SIGMAR1ALDH1A1KMT2A
SCHEMBL13745657 0.75 EPHX2 (0.43) EPHX2EPHX1ALDH1A1MEN1KMT2A
SCHEMBL6879513 0.74 HSD11B1 (0.42)
SCHEMBL8063391 0.74 HSD11B1 (0.42)
SCHEMBL8060470 0.74 HSD11B1 (0.42)
SCHEMBL12517573 0.73 EPHX2 (0.61) EPHX2HTT
SCHEMBL8025935 0.73 GRIN2D (0.52)
SCHEMBL13768759 0.72 EPHX2 (0.57) EPHX2EPHX1
SCHEMBL13126732 0.72 EPHX2 (0.43) EPHX2EPHX1SIGMAR1ALDH1A1KMT2A
SCHEMBL13768777 0.71 EPHX2 (0.56) 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
EP-1272458-B1 ARGININE MIMETICS AS FACTOR XA INHIBITORS WILEX AG (DE) 2007-12-05 EP disclosed