SCHEMBL8285802

SCHEMBL8285802

COCCCN1CCOc2ccc(COC)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.53
GRM5 P41594 1/20 0.42
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
TSHR P16473 1/20 0.40
KCNH2 Q12809 1/20 0.36
RORC P51449 4/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL7992571 0.89 REN (0.53) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL5710197 0.86 REN (0.54) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL91287 0.84 REN (0.55) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL1083640 0.83 REN (0.54) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL8263807 0.83 REN (0.60) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL27740106 0.81 REN (0.43) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL78416 0.81 REN (0.53) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL27740232 0.81 REN (0.43) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL8282811 0.80 HTR1A (0.60) RENGRM5HTR1ASLC6A4TSHR
SCHEMBL13139892 0.79 REN (0.43) RENGRM5HTR1ASLC6A4KCNH2

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-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed