SCHEMBL26065680

SCHEMBL26065680

CC1(O)CCC(N2CCN(S(=O)(=O)c3cnc(C(F)(F)F)cc3C3CC3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.37
CCR1 P32246 3/20 0.36
CHRM5 P08912 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP17A1 P05093 1/20 0.35
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 2/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL25370833 0.89 PSEN1 (0.34) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL30567047 0.89 PSEN1 (0.34) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL26065730 0.86 CCR1 (0.36) CCR1MEN1KMT2ATRPV4ALOX5AP
SCHEMBL26066097 0.79 MEN1 (0.40) CCR1MEN1KMT2ASMN1; SMN2TRPV4
SCHEMBL26065673 0.77 PSEN1 (0.40) CHRM5CYP17A1PSEN1PSEN2APH1B
SCHEMBL26065669 0.77 TGM2 (0.48)
SCHEMBL26066212 0.76 TRPV4 (0.43) CCR1MEN1KMT2ASMN1; SMN2TRPV4
SCHEMBL25372096 0.76 TRPV4 (0.35) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL25370537 0.76 TRPV4 (0.35) CCR1PSEN1PSEN2APH1BNCSTN
SCHEMBL25370535 0.76 TRPV4 (0.35) CCR1PSEN1PSEN2APH1BNCSTN

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed