SCHEMBL15076331

SCHEMBL15076331

O=C(C1CC1)N1CCNCC1CO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.52
CHRNA3 P32297 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNB3 Q05901 2/20 0.52
CHRNA6 Q15825 2/20 0.52
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA7 P36544 2/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
MAPT P10636 1/20 0.36
SCN9A Q15858 1/20 0.34
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33
SMYD3 Q9H7B4 2/20 0.33
PIK3CD O00329 1/20 0.33

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
Hydrochloric Acid SCHEMBL28720788 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL28058830 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22770541 0.81 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22770540 0.81 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL210632 0.80 CA1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1710377 0.80 CA1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2418017 0.80 CA1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23182198 0.79 CA1 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL30723575 0.79 CA1 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL26117076 0.79 CA1 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO disclosed