SCHEMBL6568592

SCHEMBL6568592

O=C(Nc1cc(Cl)c(O)c(Cl)c1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.54
HSD11B1 P28845 1/20 0.49
P2RX5 Q93086 1/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47
P2RX2 Q9UBL9 1/20 0.47

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
SCHEMBL4105151 0.82 S1PR2 (0.57) EPHX2HSD11B1
SCHEMBL4100429 0.81 EPHX2 (0.61) EPHX2
SCHEMBL4115718 0.79 EPHX2 (0.68) EPHX2HSD11B1P2RX7
SCHEMBL4113279 0.78 EPHX2 (0.65) EPHX2
SCHEMBL4109697 0.78 EPHX2 (0.63) EPHX2HSD11B1
SCHEMBL4115733 0.77 EPHX2 (0.70) EPHX2
SCHEMBL4115929 0.76 EPHX2 (0.62) EPHX2HSD11B1
SCHEMBL4107118 0.75 EPHX2 (0.75) EPHX2HSD11B1
SCHEMBL4121410 0.75 EPHX2 (0.64) EPHX2
SCHEMBL4101944 0.75 EPHX2 (0.53) EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed