SCHEMBL5768685

SCHEMBL5768685

N#Cc1c(C(=O)O)nn(-c2ccc(Cl)cc2Cl)c1Oc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.41
MARS1 P56192 1/20 0.41
RPA1 P27694 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5769154 0.83 KDM4E (0.42) CNR1KDM4EMAPTKMT2AALOX15
SCHEMBL5768882 0.81 CNR1 (0.50) CNR1CNR2
SCHEMBL5766600 0.81 CNR1 (0.44) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL5766607 0.80 CNR1 (0.51) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL6886607 0.77 KDM4E (0.53) CNR1KDM4EMEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL6770419 0.76 KDM4E (0.52) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL5767910 0.75 CNR1 (0.51) CNR1CNR2
SCHEMBL3249853 0.74 CNR1 (0.73) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL4662687 0.74 CNR1 (0.58) CNR1KDM4EMEN1MAPTMAPK1
SCHEMBL5766389 0.73 CNR1 (0.54) 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 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