SCHEMBL4779285

SCHEMBL4779285

CC1CN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3cccnc3)cc2F)CC(C)O1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 16/20 0.62
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
BDKRB1 P46663 1/20 0.43

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
SCHEMBL343917 1.00 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL367215 0.93 CCR9 (0.52) CCR9LMNAHTTTP53MAPT
SCHEMBL343000 0.90 CCR9 (0.58) CCR9LMNAHTTTP53MAPT
SCHEMBL4882414 0.90 CCR9 (0.58) CCR9LMNAHTTTP53MAPT
SCHEMBL14065193 0.90 LMNA (0.57) CCR9LMNAHTTTP53MAPT
SCHEMBL344293 0.89 CCR9 (0.61) CCR9LMNAHTTTP53MAPT
SCHEMBL344292 0.89 CCR9 (0.61) CCR9LMNAHTTTP53MAPT
SCHEMBL344254 0.89 CCR9 (0.71) CCR9LMNAHTTTP53MAPT
SCHEMBL344253 0.89 CCR9 (0.71) CCR9LMNAHTTTP53MAPT
SCHEMBL343789 0.86 CCR9 (0.46) CCR9LMNAHTTTP53MAPT

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-2008008374-A2 CCR2 INHIBITORS AND METHODS OF USE THEREOF CHEMOCENTRYX, INC. (US) 2008-01-17 WO claimed