SCHEMBL13618277

SCHEMBL13618277

COCCCCc1cc(C)c(F)c(CNC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.37
CNR2 P34972 3/20 0.37
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TSHR P16473 2/20 0.33
PABPC1 P11940 1/20 0.33
REN P00797 1/20 0.33
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL1071897 0.85 KDM4E (0.36) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL1518881 0.84 KDM4E (0.38) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL8265459 0.81 KDM4E (0.35) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL12642807 0.79 KDM4E (0.38) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL663208 0.78 KDM4E (0.37) KDM4EMEN1KMT2AGAAHTT
SCHEMBL1518257 0.78 CNR1 (0.39) CNR1CNR2KDM4EMEN1KMT2A
Ammonia Solution, Strong SCHEMBL5134889 0.77 MEN1 (0.36) KDM4EMEN1KMT2AGAAHTT
SCHEMBL1083131 0.75 ALDH1A1 (0.39) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL1518420 0.75 ALDH1A1 (0.42) CNR1CNR2KDM4EMEN1KMT2A
SCHEMBL1518646 0.75 MEN1 (0.37) CNR1CNR2KDM4EMEN1KMT2A

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
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed