SCHEMBL1029587

SCHEMBL1029587

C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CNC/C2=C\c1ccc(F)cc1)c1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.82
CNR2 P34972 13/20 0.74

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
SCHEMBL1029872 1.00 CNR1 (0.82) CNR1CNR2
SCHEMBL1028876 0.92 CNR1 (0.74) CNR1CNR2
SCHEMBL1028617 0.92 CNR1 (0.74) CNR1CNR2
SCHEMBL176465 0.90 CNR1 (0.97) CNR1CNR2
SCHEMBL176526 0.90 CNR1 (0.97) CNR1CNR2
SCHEMBL1025553 0.90 CNR1 (0.81) CNR1CNR2
SCHEMBL1030078 0.90 CNR1 (0.81) CNR1CNR2
SCHEMBL10080614 0.89 CNR1 (0.96) CNR1CNR2
SCHEMBL1029624 0.89 CNR1 (0.82) CNR1CNR2
SCHEMBL13867189 0.89 CNR1 (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 EP claimed
EP-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 EP disclosed
EP-1804791-B1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-19 EP disclosed