SCHEMBL4758698

SCHEMBL4758698

CC(C)(C)[Si](C)(C)OCC1CN(C(=O)CCCCC(=O)OCc2ccccc2)CC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
RORC P51449 1/20 0.34
PTGES O14684 2/20 0.34
TACR1 P25103 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
SLC18A2 Q05940 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
SCHEMBL4096452 1.00 CCR5 (0.35) CCR5LMNAMAPTSMN1; SMN2HTT
SCHEMBL4106623 0.86 TACR1 (0.38) CCR5LMNAMAPTSMN1; SMN2HTT
SCHEMBL4101097 0.82 ALDH1A1 (0.40) CCR5MAPTSMN1; SMN2HTTKMT2A
SCHEMBL4104213 0.82 CCR2 (0.37) LMNAMAPTSMN1; SMN2HTTMEN1
SCHEMBL4100775 0.78 CASR (0.44) CCR5HTTRORC
SCHEMBL4100767 0.78 CASR (0.44) CCR5HTTRORC
SCHEMBL4106532 0.76 CCR5 (0.43) CCR5LMNAMAPTSMN1; SMN2HTT
SCHEMBL4094847 0.76 CCR5 (0.43) CCR5LMNAMAPTSMN1; SMN2HTT
SCHEMBL4108752 0.72 RORC (0.40) CCR5RORCTACR1
SCHEMBL4093866 0.72 RORC (0.40) CCR5RORCTACR1

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-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP disclosed