SCHEMBL6820267

SCHEMBL6820267

C[CH]C1=C(c2ccc(C(F)(F)F)cc2)S(=O)(=O)N(C(=O)NCC)C12CCCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
HTT P42858 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPM2 O94759 1/20 0.32
PDE2A O00408 1/20 0.32
NR1I2 O75469 1/20 0.31
RORC P51449 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL6817272 0.86 OPRM1 (0.34) HTTKMT2A
SCHEMBL6823713 0.83 LMNA (0.39) HTTMEN1KMT2A
SCHEMBL6820669 0.78 OPRM1 (0.34) HTTKMT2A
SCHEMBL6821070 0.74 APOL1 (0.36) HTTMEN1KMT2ARORC
SCHEMBL6817250 0.72 SMN1; SMN2 (0.38) HTTMEN1KMT2A
SCHEMBL5963669 0.69 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4HTT
SCHEMBL8425193 0.60 BACE1 (0.54) MEN1KMT2ARORCPSEN1PSEN2
SCHEMBL10264321 0.58 LSS (0.56) TRPV1MEN1KMT2A
SCHEMBL16838991 0.58 SSTR3 (0.44) TRPV1MEN1KMT2ATRPM2
SCHEMBL5963783 0.57 SLC6A4 (0.33) SLC6A4SLC6A3MEN1KMT2AP2RX7

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-1326851-B1 SUBSTITUTED DIPEPTIDES AS GROWTH HORMONE SECRETAGOGUES LILLY CO ELI (US) 2004-06-30 EP claimed