SCHEMBL765908

SCHEMBL765908

CC[C@H]1C[C@@H](Oc2cc(-c3cc(F)cc(F)c3)n[nH]2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
LIPE Q05469 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
LCAT P04180 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKAA2 P54646 1/20 0.32
PARP1 P09874 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
SCHEMBL761354 0.81 NAAA (0.35) L3MBTL1TDP1LCATPARP1
SCHEMBL10212980 0.81 NAAA (0.35) L3MBTL1TDP1LCATPARP1
SCHEMBL10212982 0.79 CNR2 (0.34) CXCR3NR1H2NR1H3L3MBTL1LIPE
SCHEMBL764505 0.77 SCD (0.40) L3MBTL1HRH3TDP1LCATKMT2A
SCHEMBL764503 0.77 SCD (0.40) L3MBTL1HRH3TDP1LCATKMT2A
SCHEMBL764504 0.77 SCD (0.40) L3MBTL1HRH3TDP1LCATKMT2A
SCHEMBL12961935 0.75 SMN1; SMN2 (0.40) CXCR3NR1H2NR1H3L3MBTL1LIPE
SCHEMBL13813128 0.74 KDM4E (0.39) CXCR3NR1H2NR1H3LIPEHPGD
SCHEMBL13813249 0.73 CXCR3 (0.39) CXCR3NR1H2NR1H3LIPEHPGD
SCHEMBL12961962 0.73 CXCR3 (0.38) CXCR3NR1H2NR1H3LIPEHPGD

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-2050745-B1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT OTSUKA AGRITECHNO CO LTD (JP) 2012-03-21 EP disclosed
EP-2050745-A1 N-PYRIDYLPIPERIDINE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PEST CONTROL AGENT Otsuka Chemical Co., Ltd. (JP) 2009-04-22 EP disclosed