SCHEMBL4446901

SCHEMBL4446901

COc1ccc(C[N+](C#N)=C2NC[C@H](c3cccc(C(F)(F)F)c3)N2c2cnc(Oc3ccc(Cl)cc3)cn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.34
CETP P11597 2/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MCHR1 Q99705 1/20 0.32
P2RX3 P56373 4/20 0.32
MC4R P32245 1/20 0.31

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
SCHEMBL3595447 0.79 HDAC6 (0.40) NPBWR1CETPMCHR1P2RX3
SCHEMBL3595443 0.79 HDAC6 (0.40) NPBWR1CETPMCHR1P2RX3
SCHEMBL3587179 0.78 CETP (0.41) NPBWR1CETPGRIN1GRIN2BMCHR1
SCHEMBL3587178 0.78 CETP (0.41) NPBWR1CETPGRIN1GRIN2BMCHR1
SCHEMBL3587995 0.77 CETP (0.44) NPBWR1CETPGRIN1GRIN2BMCHR1
SCHEMBL3587999 0.77 CETP (0.44) NPBWR1CETPGRIN1GRIN2BMCHR1
SCHEMBL3588925 0.72 GAA (0.37) NPBWR1MCHR1
SCHEMBL3588919 0.72 GAA (0.37) NPBWR1MCHR1
SCHEMBL3601641 0.72 IDH1 (0.38) NPBWR1CETPMCHR1
SCHEMBL3601645 0.72 IDH1 (0.38) NPBWR1CETPMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO disclosed