SCHEMBL3713690

SCHEMBL3713690

CN1CC[C@H](Oc2ccc(C(F)(F)F)cc2C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.54
LIPG Q9Y5X9 9/20 0.46
LIPC P11150 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NTRK1 P04629 6/20 0.45
KCNH2 Q12809 5/20 0.45
LPL P06858 2/20 0.44
NTRK2 Q16620 3/20 0.43
NTRK3 Q16288 2/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
SCN9A Q15858 1/20 0.41

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
SCHEMBL6823927 0.92 CNR2 (0.48) CNR2LIPGLIPCKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5743521 0.91 CNR2 (0.47) CNR2LIPGLIPCKDM4EALDH1A1
SCHEMBL477819 0.89 LIPG (0.54) CNR2LIPGLIPCKDM4EALDH1A1
SCHEMBL477818 0.89 LIPG (0.54) CNR2LIPGLIPCKDM4EALDH1A1
SCHEMBL10565941 0.84 HTR2C (0.51) CNR2MAPTSMN1; SMN2NTRK1KCNH2
SCHEMBL10370147 0.81 L3MBTL1 (0.45) NTRK1CHRM4CHRM3
SCHEMBL10372500 0.81 HTR2C (0.55) KDM4EALDH1A1
SCHEMBL2170712 0.81 CNR2 (0.51) CNR2LIPGLPLCHRM2CHRM4
SCHEMBL10368953 0.81 HTR2C (0.46) ALDH1A1NTRK1KCNH2NTRK2NTRK3
Water SCHEMBL10565091 0.81 HTR2C (0.54) KDM4EALDH1A1

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
WO-2010111572-A1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-09-30 WO disclosed