SCHEMBL15948157

SCHEMBL15948157

COCCN(CCOC)c1cc(Cl)c2c(c1)Sc1cc(N3CCCC3)cc(Cl)c1N2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.34
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
OPRK1 P41145 1/20 0.30
UTS2R Q9UKP6 1/20 0.30
PDE7B Q9NP56 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL15875878 0.92 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL15948198 0.86 PDE7B (0.32) PDE7B
SCHEMBL15925813 0.79 IP6K1 (0.39) CHRNB2CHRNA4
SCHEMBL15925815 0.77 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL13386268 0.77 KMT2A (0.34)
SCHEMBL15948227 0.76 SNCA (0.35)
SCHEMBL15875883 0.73 CHRNB2 (0.48) CYP3A4CYP2D6CHRNB2CHRNA4
SCHEMBL15875850 0.73
SCHEMBL15948214 0.72 CRHR1 (0.32)
SCHEMBL15948217 0.70

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-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 US claimed