SCHEMBL13612080

SCHEMBL13612080

C[C@H](Cc1cn(C)cn1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MTOR P42345 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
ACACB O00763 1/20 0.30

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
SCHEMBL1913017 0.80 CYP2C9 (0.53) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL867807 0.77 HRH4 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12259432 0.77 CYP2C9 (0.50) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL10670324 0.77 HRH4 (0.55) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12522695 0.76 CYP2C9 (0.42) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL1133628 0.75 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL12412596 0.75 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL17293206 0.75 CYP2C9 (0.41) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL13003084 0.74 CYP2C9 (0.47) CYP2C9TSHRCYP2C19MTORHRH4
SCHEMBL16804896 0.74 CYP2C9 (0.55) CYP2C9TSHRCYP2C19MTORHRH4

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
WO-2009141738-A2 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2009-11-26 WO disclosed