SCHEMBL4742356

SCHEMBL4742356

CCN1CCN(CNC(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CHRM3 P20309 2/20 0.61
CHRM4 P08173 1/20 0.61
CHRM5 P08912 1/20 0.61
CHRM1 P11229 1/20 0.61
MAPT P10636 1/20 0.53
APOBEC3A P31941 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
TP53BP1 Q12888 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
DDR1 Q08345 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.50
CCR2 P41597 1/20 0.50

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
SCHEMBL2679794 0.85 LMNA (0.61) POLBALDH1A1MAPTTP53BP1NPSR1
SCHEMBL4002713 0.80 ALDH1A1 (0.63) ALDH1A1MAPTNPSR1LMNANAMPT
SCHEMBL30739602 0.80 POLB (0.78) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL2855037 0.80 POLB (0.78) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL29658300 0.79 POLB (0.64) POLBALDH1A1TP53BP1HDAC2NAMPT
SCHEMBL3770723 0.79 POLB (0.57) POLBALDH1A1CHRM3CHRM4CHRM5
SCHEMBL6360091 0.77 POLB (1.00) POLBALDH1A1TP53BP1TAS1R3TAS1R1
SCHEMBL12465462 0.76 CCR2 (0.80) CCR2
SCHEMBL4006239 0.76 DRD2 (0.73) CCR2
SCHEMBL1420613 0.76 CHRM4 (0.67) CHRM3CHRM4CHRM5CHRM1MAPT

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-1981870-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-10-22 EP disclosed
WO-2007092531-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-08-16 WO disclosed