SCHEMBL27857050

SCHEMBL27857050

CN(C)CCc1ccncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
CXCR4 P61073 1/20 0.40
HTR6 P50406 3/20 0.39
TAAR1 Q96RJ0 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL9597906 0.79 CXCR4 (0.41) CXCR4HRH3CHRNB2CHRNA4HSP90AA1
SCHEMBL805513 0.77
SCHEMBL11361047 0.77
SCHEMBL16269257 0.77 TERT (0.41) CXCR4HRH3CYP2C19CHRM2
SCHEMBL9053685 0.74 TAAR1 (0.38) CHRNA7TAAR1HRH3
SCHEMBL30086100 0.73 KDM4E (0.58) TAAR1HRH3CYP2D6CYP2C19KDM4E
SCHEMBL229256 0.73 KDM4E (0.58) TAAR1HRH3CYP2D6CYP2C19KDM4E
SCHEMBL7897858 0.73 CYP2D6 (0.46) HRH3HSP90AA1CYP2D6CYP2C19TSHR
SCHEMBL1666852 0.72
SCHEMBL9573114 0.72

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102908630-B 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2014-11-19 CN disclosed
CN-102766630-B 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2014-05-07 CN disclosed
CN-102908630-A 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2013-02-06 CN disclosed
CN-102766630-A 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2012-11-07 CN disclosed
CN-101410406-B 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC 2012-06-20 CN disclosed
CN-101410406-A 6-modified bicyclic nucleic acid analogs ISIS PHARMACEUTICALS INC (US) 2009-04-15 CN disclosed