SCHEMBL300474

SCHEMBL300474

O=C(NC1C2CC3CC(C2)CC1C3)Oc1nn(C2CCCCC2)c2c1CCCCC2Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 7/20 0.35
CNR2 P34972 3/20 0.35
POLB P06746 1/20 0.34
CXCR3 P49682 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
FAAH O00519 3/20 0.32
PDE9A O76083 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL176581 0.85 CNR2 (0.41) EPHX2HSD11B1CNR2CXCR3
SCHEMBL300693 0.79 CNR1 (0.40) CNR2POLB
SCHEMBL300571 0.79 CNR2 (0.42) CNR2
SCHEMBL177011 0.77 CNR2 (0.42) EPHX2HSD11B1CNR2PDE9A
SCHEMBL300688 0.77 CNR2 (0.39) EPHX2HSD11B1CNR2POLBPDE9A
SCHEMBL300663 0.74 POLB (0.43) CNR2POLBFAAH
SCHEMBL3466283 0.74 TBXA2R (0.39) POLBPDE9ATSHR
SCHEMBL176710 0.74 CNR2 (0.42) CNR2POLB
SCHEMBL176582 0.73 CNR2 (0.47) HSD11B1CNR2
SCHEMBL176740 0.73 ALDH1A1 (0.45) CNR2POLB

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-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed