SCHEMBL2857566

SCHEMBL2857566

O=C(NC1CCc2ccccc21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.54
HSD11B1 P28845 1/20 0.51
PDE2A O00408 1/20 0.51
TAS1R3 Q7RTX0 4/20 0.50
TAS1R1 Q7RTX1 4/20 0.50
TAS1R2 Q8TE23 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SPR P35270 2/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.44
TAOK3 Q9H2K8 1/20 0.43
LMNA P02545 1/20 0.43
RIPK1 Q13546 1/20 0.43

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
SCHEMBL3423831 0.94 ALDH1A1 (0.55) CNR1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3390180 0.94 ALDH1A1 (0.55) CNR1TAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL2854682 0.92 ALDH1A1 (0.60) HSD11B1PDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL3390177 0.85 KDM4E (0.49) CNR1HSD11B1ALDH1A1KDM4ESPR
SCHEMBL3423825 0.85 KDM4E (0.49) CNR1HSD11B1ALDH1A1KDM4ESPR
SCHEMBL2856213 0.84 CNR1 (0.47) CNR1PDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL10366974 0.82 HSD11B1 (0.56) CNR1HSD11B1ALDH1A1KDM4ESPR
SCHEMBL2852200 0.82 SPR (0.51) CNR1PDE2ATAS1R3TAS1R1TAS1R2
SCHEMBL2851938 0.80 SPR (0.56) CNR1HSD11B1ALDH1A1KDM4ESPR
SCHEMBL2857660 0.79 LMNA (0.48) CNR1TAS1R3TAS1R1TAS1R2ALDH1A1

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed