SCHEMBL300451

SCHEMBL300451

O=C(N[C@@H](CO)c1ccccc1)Oc1n[nH]c2c1CCCC/C2=C\c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.42
CNR1 P21554 7/20 0.37
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 6/20 0.35
PAK4 O96013 1/20 0.34
APP P05067 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
SCHEMBL300699 0.91 CNR2 (0.48) CNR2CNR1NPC1MAPK1PAK4
SCHEMBL300525 0.88 CNR1 (0.46) CNR2CNR1MAPK1
SCHEMBL300660 0.88 CNR1 (0.46) CNR2CNR1MAPK1
SCHEMBL176588 0.87 CNR2 (0.53) CNR2CNR1NPC1HTTMAPK1
SCHEMBL300543 0.78 MAPK1 (0.35) CNR2CNR1NPC1HTTMAPK1
SCHEMBL300665 0.78 MAPK1 (0.35) CNR2CNR1NPC1HTTMAPK1
SCHEMBL14089571 0.78 CNR2 (0.47) CNR2CNR1NPC1MAPK1PAK4
SCHEMBL176745 0.78 CNR2 (0.59) CNR2CNR1NPC1MAPK1PAK4
SCHEMBL13011106 0.77 CNR2 (0.59) CNR2CNR1NPC1MAPK1PAK4
SCHEMBL13011108 0.77 CNR2 (0.59) CNR2CNR1NPC1MAPK1PAK4

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