SCHEMBL19234331

SCHEMBL19234331

FC(F)(F)Oc1cccc(SNCC2CCCN2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
TACR1 P25103 5/20 0.39
HTR2C P28335 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR6 P50406 1/20 0.37
PIM1 P11309 1/20 0.36
FLT3 P36888 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL12480776 0.80 CHRNB4 (0.42) CHRNB4CHRNA3TACR1HTR2CKCNH2
SCHEMBL12480778 0.80 CHRNB4 (0.42) CHRNB4CHRNA3TACR1HTR2CKCNH2
SCHEMBL19234029 0.78 HTR1A (0.43) KCNH2CYP2D6HTR1AHTR2AHRH1
SCHEMBL19234428 0.78 IDO1 (0.42) CHRNB4CHRNA3
SCHEMBL19234330 0.75 HTR6 (0.48) HTR2CHTR6
SCHEMBL25313136 0.74 TACR1 (0.41) CHRNB4CHRNA3TACR1HTR2CKCNH2
SCHEMBL25314944 0.74 TACR1 (0.41) CHRNB4CHRNA3TACR1HTR2CKCNH2
SCHEMBL4206172 0.70 CHRNB2 (0.45) CHRNB4CHRNA3
SCHEMBL4206176 0.70 CHRNB2 (0.45) CHRNB4CHRNA3
SCHEMBL11448286 0.68 CHRNB4 (0.46) CHRNB4CHRNA3

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
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed