SCHEMBL300688

SCHEMBL300688

O=C(NC12CC3CC(CC(C3)C1)C2)Oc1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.39
CNR1 P21554 4/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD11B1 P28845 1/20 0.36
PDE9A O76083 2/20 0.34
EPHX2 P34913 1/20 0.34
POLB P06746 1/20 0.33
CCKBR P32239 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
SCHEMBL176758 0.87 CNR2 (0.46) CNR2CNR1ALDH1A1KDM4ENPC1
SCHEMBL300372 0.86 CNR2 (0.42) CNR2CNR1ALDH1A1KDM4ENPC1
SCHEMBL300678 0.81 CNR2 (0.48) CNR2
SCHEMBL300504 0.80 CNR2 (0.42) CNR2CNR1
SCHEMBL176685 0.80 CNR2 (0.42) CNR2CNR1ALDH1A1KDM4ENPC1
SCHEMBL3466374 0.78 CNR2 (0.46) CNR2CNR1ALDH1A1KDM4EMAPT
SCHEMBL176823 0.77 CNR2 (0.44) CNR2CNR1ALDH1A1SMN1; SMN2PDE9A
SCHEMBL176582 0.77 CNR2 (0.47) CNR2CNR1ALDH1A1KDM4ENPC1
SCHEMBL300474 0.77 EPHX2 (0.39) CNR2HSD11B1PDE9AEPHX2POLB
SCHEMBL176650 0.76 EPHX2 (0.45) CNR2CNR1NPC1RAB9AHSD11B1

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