SCHEMBL4016691

SCHEMBL4016691

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1)S(=O)(=O)CC1CCOCC1.Cn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 3/20 0.44
CNR1 P21554 2/20 0.44
TRPV4 Q9HBA0 3/20 0.41
NTRK1 P04629 1/20 0.41
GRM5 P41594 1/20 0.40
POLB P06746 1/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1619715 0.91 CNR2 (0.51) MAPTXBP1NPSR1CNR2CNR1
SCHEMBL1621889 0.84 CNR2 (0.53) MAPTCNR2CNR1L3MBTL1
SCHEMBL1619666 0.77 CNR2 (0.50) MAPTXBP1NPSR1CNR2CNR1
SCHEMBL1621477 0.76 CNR2 (0.53) MAPTXBP1NPSR1CNR2CNR1
SCHEMBL1621245 0.76 CNR2 (0.54) MAPTXBP1NPSR1CNR2CNR1
SCHEMBL766858 0.75 CNR2 (0.57) MAPTCNR2CNR1NTRK1
SCHEMBL4010942 0.75 CNR2 (0.52) MAPTXBP1NPSR1CNR2CNR1
SCHEMBL1621068 0.75 CNR2 (0.56) CNR2CNR1
SCHEMBL1620692 0.74 CNR2 (0.48) CNR2CNR1TRPV4NTRK1KCNJ6
SCHEMBL1620571 0.72 MAPT (0.52) MAPTXBP1NPSR1NTRK1POLB

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-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed