SCHEMBL5767595

SCHEMBL5767595

CCCNC1(C(=O)O)CCN(C(=O)c2nn(-c3ccc(Cl)cc3Cl)c(Oc3ccc(Cl)cc3)c2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.48
CNR2 P34972 14/20 0.48
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6769520 0.93 CNR1 (0.57) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL5768402 0.83 CNR1 (0.51) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL5766389 0.81 CNR1 (0.54) CNR1CNR2
SCHEMBL5767553 0.81 CNR1 (0.54) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL5769679 0.79 CNR1 (0.47) CNR1CNR2
SCHEMBL5769125 0.79 CNR1 (0.49) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL5767540 0.77 CNR1 (0.50) CNR1CNR2
SCHEMBL6766971 0.76 CNR1 (0.52) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL5768882 0.76 CNR1 (0.50) CNR1CNR2
SCHEMBL5766942 0.75 CNR1 (0.52) CNR1CNR2KDM4EMEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622876-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2006-02-08 EP disclosed
WO-2004099157-A1 CANNABINOID RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2004-11-18 WO disclosed