SCHEMBL4010942

SCHEMBL4010942

CC(C)(C(=O)Nc1cc2ccccc2cn1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)on1.Cn1nc(-c2ccccc2)cc1NC(=O)C(C)(C)S(=O)(=O)CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.52
CNR1 P21554 7/20 0.52
KDR P35968 2/20 0.36
NTRK1 P04629 1/20 0.36
RET P07949 1/20 0.36
EPHB2 P29323 1/20 0.36
BRAF P15056 2/20 0.35
KRAS P01116 1/20 0.35
RAF1 P04049 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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 0.83 CNR2 (0.51) CNR2CNR1NTRK1MAPTXBP1
SCHEMBL1621259 0.80 CNR2 (0.53) CNR2CNR1
SCHEMBL1621602 0.78 CNR2 (0.83) CNR2CNR1
SCHEMBL4016691 0.75 MAPT (0.49) CNR2CNR1NTRK1MAPTXBP1
SCHEMBL766858 0.74 CNR2 (0.57) CNR2CNR1NTRK1MAPT
SCHEMBL4017564 0.73 CNR2 (0.74) CNR2CNR1
SCHEMBL1621382 0.73 CNR2 (0.73) CNR2CNR1
SCHEMBL1621173 0.73 CNR2 (0.72) CNR2CNR1
SCHEMBL10217739 0.72 CNR2 (0.78) CNR2CNR1
SCHEMBL1620767 0.71 CNR2 (0.69) CNR2CNR1

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 claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed