SCHEMBL300372

SCHEMBL300372

O=C(NC12CC3CC(CC(C3)C1)C2)Oc1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.42
CNR1 P21554 6/20 0.38
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL176713 0.88 CNR2 (0.52) CNR2CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL300688 0.86 CNR2 (0.39) CNR2CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL300711 0.84 CNR2 (0.44) CNR2CNR1
SCHEMBL300530 0.81 CNR1 (0.48) CNR2CNR1FAAH
SCHEMBL300468 0.80 FAAH (0.44) CNR2CNR1FAAH
SCHEMBL176616 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL176986 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL3469170 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL300716 0.80 CNR1 (0.39) CNR2CNR1FAAH
SCHEMBL300745 0.80 CNR1 (0.39) CNR2CNR1FAAH

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