SCHEMBL12962015

SCHEMBL12962015

CC1C[C@H](Oc2ccc(C(F)(F)F)cc2C(=O)OC2CCCO2)C[C@H](C)N1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.40
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ABL1 P00519 1/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
LIPG Q9Y5X9 2/20 0.37
HSD11B1 P28845 1/20 0.35
LPL P06858 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CNR1 P21554 1/20 0.34
SLC6A9 P48067 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC6A5 Q9Y345 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
SCHEMBL13799820 0.92 CNR2 (0.38) CNR2TSHRKDM4EABL1LMNA
SCHEMBL10107288 0.92 CNR2 (0.38) CNR2TSHRKDM4EABL1LMNA
SCHEMBL16433645 0.87 KDM4E (0.39) CNR2TSHRKDM4EABL1LMNA
SCHEMBL13813306 0.84 CNR2 (0.40) CNR2TSHRKDM4EABL1LMNA
SCHEMBL13799821 0.76 KDM4E (0.43) KDM4EABL1LMNAHRH3LIPG
SCHEMBL10107306 0.76 KDM4E (0.43) KDM4EABL1LMNAHRH3LIPG
SCHEMBL10107285 0.74 LIPG (0.48) KDM4EABL1LMNAHRH3LIPG
SCHEMBL13799819 0.74 LIPG (0.48) KDM4EABL1LMNAHRH3LIPG
SCHEMBL12962019 0.73 LIPG (0.50) CNR2KDM4EABL1LMNAHRH3
SCHEMBL12961973 0.71 HTR2C (0.38) CNR2KDM4EABL1LMNAHRH3

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
US-7868178-B2 Cyclic amine compound and pest control agent NIPPON SODA CO., LTD. (JP) 2011-01-11 US disclosed