SCHEMBL8315728

SCHEMBL8315728

FC(F)(F)c1c(C=C2CCNCC2)cccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.42
HTR2A P28223 2/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
ASIC3 Q9UHC3 1/20 0.35
HTR2C P28335 6/20 0.33
HRH1 P35367 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
HTR2B P41595 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL5015224 0.74 TNF (0.51) HTR2CSLC6A2SLC6A4
SCHEMBL4037060 0.74 LMNA (0.43) ALDH1A1LMNA
SCHEMBL8314716 0.74 HTR7 (0.48) PRCPHTR2AHTR1AHTR7HTR5A
Hydrochloric Acid SCHEMBL10600743 0.72 HTR7 (0.47) PRCPHTR2AHTR1AHTR7HTR5A
SCHEMBL8314577 0.71 SIGMAR1 (0.40) PRCPHTR2AHTR1AHTR7HTR6
SCHEMBL8313295 0.70 CHRM1 (0.55) HTR2AHTR7HTR2CPARP10PARP11
Hydrochloric Acid SCHEMBL10601953 0.69 HTR7 (0.42) HTR2AHTR1AHTR7HTR6HTR2C
SCHEMBL12751291 0.69 IKBKB (0.51) HTR2AHTR7HTR2CHTR2B
SCHEMBL28292786 0.69 LMNA (0.50) HTR2AHTR2CHTR2BALDH1A1LMNA
SCHEMBL8316812 0.68 NISCH (0.40) PRCPHTR2AHTR1AHTR7HTR5A

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-0536419-B1 TRICYCLIC TRIAZOLE DERIVATIVES, PRODUCTION AND USE THEREOF TORAY INDUSTRIES (JP) 1999-10-13 EP disclosed
EP-0536419-A1 TRICYCLIC TRIAZOLE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1993-04-14 EP disclosed