SCHEMBL14064705

SCHEMBL14064705

CC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccncc3)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 17/20 0.61
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
CCR2 P41597 1/20 0.45

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
SCHEMBL343980 0.88 CCR9 (0.59) CCR9LMNAHTTTP53MAPT
SCHEMBL14074075 0.88 CCR9 (0.62) CCR9LMNAHTTTP53MAPT
SCHEMBL343349 0.87 CCR9 (0.69) CCR9LMNAHTTTP53MAPT
SCHEMBL14064704 0.86 CCR9 (0.60) CCR9LMNAHTTTP53MAPT
SCHEMBL343000 0.84 CCR9 (0.58) CCR9LMNAHTTTP53MAPT
SCHEMBL4882414 0.84 CCR9 (0.58) CCR9LMNAHTTTP53MAPT
SCHEMBL16574549 0.79 LMNA (0.65) CCR9LMNAHTTTP53MAPT
SCHEMBL342201 0.79 CCR9 (0.75) CCR9LMNAHTTTP53MAPT
SCHEMBL344365 0.79 CCR9 (0.57) CCR9LMNAHTTTP53MAPT
SCHEMBL344936 0.77 CCR9 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed
US-7420055-B2 Antagonists of the chemokine receptor 9 (CCR9); inhibit TECK ligand; antiinflammatory agents and immunoregulators; inflammatory bowel disease; (2-phenylsulfonamidophenyl)-pyridinyl-methanones; N-[4-chloro-2(pyridine4-carbonyl)-phenyl]4-morpholin-4-yl-benzenesulfonamide CHEMOCENTRYX, INC. (US) 2008-09-02 US disclosed