SCHEMBL4012800

SCHEMBL4012800

CC(C)(C)c1cc(N)no1.CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.57
CNR1 P21554 3/20 0.57
GAA P10253 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 1/20 0.46
MAPK14 Q16539 2/20 0.45
KDR P35968 3/20 0.44
RAF1 P04049 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
FLT3 P36888 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1621282 0.93 CNR2 (0.64) CNR2CNR1GAANPC1RAB9A
SCHEMBL4012799 0.87 CNR2 (0.56) CNR2CNR1GAANPC1RAB9A
SCHEMBL4011532 0.83 CNR2 (0.52) CNR2CNR1GAANPC1RAB9A
SCHEMBL766898 0.81 CNR1 (0.56) CNR2CNR1GAANPC1RAB9A
SCHEMBL4011530 0.79 CNR2 (0.50) CNR2CNR1GAANPC1RAB9A
SCHEMBL3655047 0.79 CNR2 (0.60) CNR2CNR1GAANPC1RAB9A
SCHEMBL1621234 0.78 CNR2 (0.64) CNR2CNR1GAANPC1RAB9A
SCHEMBL3653682 0.78 CNR2 (0.58) CNR2CNR1GAANPC1RAB9A
SCHEMBL1621505 0.77 CNR1 (0.63) CNR2CNR1GAANPC1RAB9A
SCHEMBL1620681 0.77 CNR2 (0.57) CNR2CNR1GAANPC1RAB9A

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