SCHEMBL7546795

SCHEMBL7546795

CCCc1c(OCC(F)(F)F)c2cc(Cl)ccc2[nH]c1=O.CCCc1c(OCc2ccc(OC)cc2)nc2ccc(Cl)cc2c1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CYP2C9 P11712 1/20 0.36
PDE10A Q9Y233 6/20 0.36
CNR2 P34972 1/20 0.35
CSF1R P07333 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL7116489 0.90 RORC (0.39)
SCHEMBL7116100 0.81 SIRT1 (0.45) CYP2C9CSF1RLMNA
SCHEMBL7500481 0.81 RORC (0.33) POLB
SCHEMBL7121201 0.75 ALDH1A1 (0.53) CNR1CSF1R
SCHEMBL7117483 0.72 HRH4 (0.37) POLB
SCHEMBL7125974 0.65 SIRT1 (0.44) CSF1R
SCHEMBL7114302 0.65 SIRT1 (0.44) CNR1CSF1RPOLB
SCHEMBL7116736 0.64 SIRT1 (0.42) LMNA
SCHEMBL7115575 0.63 SIRT1 (0.42) CSF1R
SCHEMBL7116744 0.63 SIRT1 (0.46) CSF1RLMNAPOLB

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-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO disclosed