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Sugi Predict / Compounds / SCHEMBL1493643

SCHEMBL1493643

SCHEMBL1493643

O=c1c(NC23CC4CC(CC(C4)C2)C3)nn(CCCCC(F)(F)F)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 18/20 0.48
▸ CNR1 P21554 7/20 0.48
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL1493640 0.89 CNR2 (0.51) CNR2CNR1
SCHEMBL1493722 0.86 CNR2 (0.43) CNR2CNR1HDAC1HDAC6
SCHEMBL1493689 0.74 TLR7 (0.38) CNR2CNR1
SCHEMBL1491875 0.74 CNR2 (0.39) CNR2CNR1HDAC1HDAC6
SCHEMBL1493630 0.73 AURKA (0.40) CNR2CNR1HDAC1HDAC6
SCHEMBL4051371 0.68 CNR1 (0.51) CNR2CNR1
SCHEMBL13690656 0.67 KDM4E (0.39) CNR2CNR1HDAC1HDAC6
SCHEMBL24222016 0.67 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL31052991 0.67 CNR2 (0.81) CNR2CNR1HDAC1HDAC6
SCHEMBL17297543 0.67 CNR2 (0.80) CNR2CNR1HDAC1HDAC6

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
WO-2011033225-A2 SUBSTITUTED 3-AMINO-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 — — WO claimed
WO-2011033225-A2 SUBSTITUTED 3-AMINO-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 — — WO disclosed