SCHEMBL27740232

SCHEMBL27740232

COCCCN1CCOc2ccc(COC3CCCNC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.43
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A4 P31645 5/20 0.38
KCNH2 Q12809 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
GRM5 P41594 2/20 0.37
HTR1A P08908 1/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPY5R Q15761 2/20 0.31

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
SCHEMBL3469145 0.85 REN (0.35) RENSLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL27740106 0.84 REN (0.43) RENSLC6A4KCNH2GRM5HTR1A
SCHEMBL13139892 0.84 REN (0.43) RENSLC6A4KCNH2GRM5HTR1A
SCHEMBL3474804 0.83 REN (0.34) RENGRM5
SCHEMBL3076004 0.81 REN (0.44) REN
SCHEMBL8284795 0.81 REN (0.44) REN
SCHEMBL13030761 0.81 REN (0.46) REN
SCHEMBL3066635 0.81 REN (0.46) REN
SCHEMBL3079266 0.81 REN (0.43) REN
SCHEMBL13030760 0.81 REN (0.43) REN

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
CN-101501020-A Nitrate esters of piperidines SPEEDEL EXPERIMENTA AG (CH) 2009-08-05 CN disclosed
CN-101370806-A Substituted 4-phenylpiperidines SPEEDEL EXPERIMENTA AG (CH) 2009-02-18 CN disclosed