SCHEMBL14366334

SCHEMBL14366334

CC(=N)N1CCC(NC(C)=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.49
EPHX1 P07099 4/20 0.49
CPN1 P15169 1/20 0.44
CPB2 Q96IY4 1/20 0.44
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.39
KDM5A P29375 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
SCHEMBL9893075 0.83 EPHX2 (0.67) EPHX2EPHX1
SCHEMBL5361247 0.82 EPHX2 (0.50) EPHX2EPHX1CA1CA2CA12
SCHEMBL18559935 0.82 EPHX2 (0.50) EPHX2EPHX1CA1CA2CA12
SCHEMBL7895774 0.80 EPHX2 (0.49) EPHX2EPHX1CA1CA2CA12
SCHEMBL25934453 0.77 EPHX2 (0.50) EPHX2EPHX1CA1CA2CA12
SCHEMBL18997474 0.77 ALDH1A1 (0.51) EPHX2EPHX1CA1CA2CA12
SCHEMBL18560182 0.77 EPHX2 (0.51) EPHX2EPHX1ALDH1A1DPP4DPP8
SCHEMBL14344886 0.77 CPN1 (0.40) EPHX2EPHX1CPN1CPB2ALDH1A1
SCHEMBL18091012 0.77 ATM (0.45) EPHX2EPHX1CA1CA2CA12
SCHEMBL508551 0.77 ATM (0.45) EPHX2EPHX1CA1CA2CA12

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-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed