SCHEMBL4779231

SCHEMBL4779231

Cc1c(CN2CCC(c3c(F)cccc3F)CC2)c2ccccc2n1CC(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
CNR1 P21554 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HRH1 P35367 1/20 0.42
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL4780556 0.94 KDM4E (0.46) CNR2CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4708685 0.90 HTR6 (0.43) LMNAGLAL3MBTL1KDM4EPOLB
SCHEMBL4708187 0.88 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19KDM4EHRH1
SCHEMBL4780894 0.85 LMNA (0.47) LMNAGLAL3MBTL1KDM4EHRH1
SCHEMBL4776252 0.85 PTGDR2 (0.44) CNR2CNR1CYP3A4CYP2C19KDM4E
SCHEMBL4780527 0.84 SMN1; SMN2 (0.42) LMNAGLAL3MBTL1KDM4EPOLB
SCHEMBL4773925 0.84 POLB (0.42) LMNAGLAL3MBTL1KDM4EPOLB
SCHEMBL4774098 0.84 PTGDR2 (0.41) LMNAGLAL3MBTL1PTGDR2
SCHEMBL4706301 0.82 KDM4E (0.44) CYP3A4CYP2C9CYP2C19KDM4EHRH1
SCHEMBL4708952 0.82 CNR2 (0.41) CNR2CNR1CYP3A4CYP2C9CYP2C19

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
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO claimed
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed