SCHEMBL12874802

SCHEMBL12874802

CNCCc1cn(Cc2ccc(OC)cc2)c2c(F)ccc(O)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.40
SLC5A1 P13866 2/20 0.39
SLC5A2 P31639 2/20 0.39
HSP90AA1 P07900 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HTR6 P50406 1/20 0.36
ADRB3 P13945 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
EGFR P00533 1/20 0.36
IGF1R P08069 1/20 0.36
FLT4 P35916 1/20 0.36

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
SCHEMBL1163178 0.85 HTR6 (0.54) CHRM1SMN1; SMN2SLC5A1SLC5A2HTR6
SCHEMBL12874796 0.75 HRH3 (0.45) HSP90AA1LMNATAAR1HSP90B1
SCHEMBL12874302 0.72 PTGER1 (0.39) CHRM1SMN1; SMN2LMNATAAR1
SCHEMBL22416064 0.70 CHRM1 (0.83) CHRM1SMN1; SMN2LMNAPOLBMAPT
SCHEMBL16341842 0.70 CHRM1 (0.78) CHRM1SMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL16341817 0.68 CHRM1 (1.00) CHRM1SMN1; SMN2LMNA
SCHEMBL12874801 0.68 PTGER1 (0.37) CHRM1SMN1; SMN2LMNA
SCHEMBL1163260 0.68 HTR2A (0.43) CHRM1HTR6HDAC1HDAC8HDAC6
SCHEMBL16341848 0.68 CHRM1 (0.81) CHRM1SMN1; SMN2LMNAPOLB
SCHEMBL16341768 0.67 CHRM1 (0.72) CHRM1SMN1; SMN2

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-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO disclosed