SCHEMBL5209840

SCHEMBL5209840

CCOC(=O)C1=Cc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2OCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.44
EED O75530 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
RAB9A P51151 1/20 0.41
PTGS2 P35354 2/20 0.41

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
SCHEMBL7702467 0.91 SMN1; SMN2 (0.45) CCR5EEDSUZ12EZH2SMN1; SMN2
SCHEMBL7675716 0.87 CCR5 (0.52) CCR5NPC1CLK1RAB9A
SCHEMBL7679128 0.86 CCR5 (0.46) CCR5NPC1CLK1RAB9A
SCHEMBL5551191 0.85 CCR5 (0.55) CCR5NPC1CLK1RAB9A
SCHEMBL5209297 0.84 PTGS2 (0.43) CCR5PTGS2
SCHEMBL7675628 0.84 CCR5 (0.45) CCR5NPC1CLK1RAB9A
SCHEMBL7678397 0.84 CCR5 (0.45) CCR5NPC1CLK1RAB9A
SCHEMBL5209520 0.83 CCR5 (0.52) CCR5NPC1CLK1RAB9A
SCHEMBL5208304 0.82 CCR5 (0.45) CCR5NPC1CLK1RAB9A
SCHEMBL7382482 0.81 CA12 (0.47) CCR5SMN1; SMN2NPC1CLK1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed