SCHEMBL176433

SCHEMBL176433

O=C(N[C@@H](CO)c1ccccc1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCC/C2=C\c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.81
CNR2 P34972 12/20 0.81

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
SCHEMBL14258981 1.00 CNR1 (0.81) CNR1CNR2
SCHEMBL176599 1.00 CNR1 (0.81) CNR1CNR2
SCHEMBL13745718 0.95 CNR1 (0.73) CNR1CNR2
SCHEMBL176430 0.93 CNR1 (0.82) CNR1CNR2
SCHEMBL14548141 0.91 CNR1 (0.68) CNR1CNR2
SCHEMBL14089563 0.91 CNR1 (0.69) CNR1CNR2
SCHEMBL176642 0.90 CNR1 (0.68) CNR1CNR2
SCHEMBL257841 0.89 CNR1 (0.83) CNR1CNR2
SCHEMBL176654 0.89 CNR1 (1.00) CNR1CNR2
SCHEMBL176724 0.89 CNR1 (1.00) CNR1CNR2

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 disclosed