SCHEMBL13061384

SCHEMBL13061384

C=C(C)NC(=O)Nc1ccc(C2=NC(Cc3ccccc3C(F)(F)F)C(=O)Nc3ccc(I)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.39
TRPV1 Q8NER1 1/20 0.38
HDAC1 Q13547 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
SCHEMBL12390481 0.92 CCKBR (0.48) CCKBRTRPV1
SCHEMBL13061376 0.89 CCKBR (0.42) CCKBRTRPV1
SCHEMBL13061378 0.89 TRPV1 (0.40) CCKBRTRPV1HDAC1
SCHEMBL13618700 0.82 TRPV1 (0.51) CCKBRTRPV1
SCHEMBL2264164 0.81 CCKBR (0.52) CCKBRTRPV1
SCHEMBL11982417 0.81 CCKBR (0.52) CCKBRTRPV1
SCHEMBL11982408 0.81 CCKBR (0.49) CCKBRTRPV1
SCHEMBL12390474 0.80 CCKBR (0.50) CCKBRTRPV1
SCHEMBL13061379 0.80 TRPV1 (0.46) CCKBRTRPV1
SCHEMBL11982409 0.79 TRPV1 (0.44) CCKBRTRPV1

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-7851465-B2 Compositions and methods relating to novel compounds and targets thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-12-14 US disclosed