SCHEMBL4882414

SCHEMBL4882414

CC1CN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2F)CC(C)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 18/20 0.58
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL343000 1.00 CCR9 (0.58) CCR9LMNAHTTTP53MAPT
SCHEMBL14065193 0.92 LMNA (0.57) CCR9LMNAHTTTP53MAPT
SCHEMBL4779285 0.90 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL343917 0.90 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL344027 0.89 CCR9 (0.56) CCR9LMNAHTTTP53MAPT
SCHEMBL14073658 0.89 LMNA (0.49) CCR9LMNAHTTTP53MAPT
SCHEMBL344292 0.87 CCR9 (0.61) CCR9LMNAHTTTP53MAPT
SCHEMBL344293 0.87 CCR9 (0.61) CCR9LMNAHTTTP53MAPT
SCHEMBL342106 0.87 CCR9 (0.66) CCR9LMNAHTTTP53MAPT
SCHEMBL342107 0.87 CCR9 (0.66) 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