SCHEMBL8028048

SCHEMBL8028048

CCOC(=O)CNC(=O)CCCn1c(Cc2ccc(C#N)cc2)nc2cc(NS(=O)(=O)CCCN(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.44
CNR1 P21554 7/20 0.43
F2 P00734 2/20 0.38
ITK Q08881 1/20 0.35

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
SCHEMBL8028358 0.91 CNR2 (0.46) CNR2CNR1F2ITK
SCHEMBL8028052 0.85 CNR2 (0.44) CNR2CNR1ITK
SCHEMBL8030582 0.81 CNR2 (0.43) CNR2CNR1F2
SCHEMBL8026369 0.80 F2 (0.43) CNR2CNR1F2
SCHEMBL6635781 0.79 MAPT (0.42) CNR2CNR1
SCHEMBL8143300 0.78 F2 (0.58) CNR2F2ITK
SCHEMBL8027009 0.77 CNR2 (0.46) CNR2CNR1ITK
SCHEMBL8026521 0.77 F2 (0.56) CNR2F2
SCHEMBL8016206 0.77 F2 (0.46) CNR2CNR1F2
SCHEMBL8029677 0.77 F2 (0.44) CNR2CNR1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed