SCHEMBL7045587

SCHEMBL7045587

O=C(NC1=CC=CC=CN1)c1nc(Cc2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.38
KMT2A Q03164 2/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
EPHX2 P34913 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL7046386 0.76 CNR1 (0.62) CNR1
SCHEMBL7044549 0.75 CNR1 (0.64) CNR1
SCHEMBL7047635 0.67 CNR1 (0.64) CNR1
SCHEMBL7042592 0.66 CNR1 (0.62) CNR1
SCHEMBL2033230 0.64 MAPT (0.47) CNR1KMT2ALMNANPSR1MAPT
SCHEMBL7044590 0.62 CNR1 (0.49) CNR1
SCHEMBL7042633 0.62 CNR1 (0.52) CNR1
SCHEMBL7044205 0.62 CNR1 (0.52) CNR1KMT2ALMNAHTTMAPT
SCHEMBL7041750 0.62 CNR1 (0.44) CNR1KMT2AHTT
SCHEMBL7046402 0.61 CNR1 (0.55) CNR1

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
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO claimed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 WO disclosed