SCHEMBL7679128

SCHEMBL7679128

CCOC(=O)C1=Cc2cc(-c3ccc(Cl)cc3)ccc2OCC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CLK1 P49759 1/20 0.43
PREP P48147 1/20 0.43
PRKCZ Q05513 1/20 0.42
ALPL P05186 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL7380758 0.91 CA12 (0.47) CCR5NPC1RAB9ACLK1ALPL
SCHEMBL7675716 0.90 CCR5 (0.52) CCR5NPC1RAB9ACLK1ALPL
SCHEMBL5551191 0.88 CCR5 (0.55) CCR5NPC1RAB9ACLK1
SCHEMBL7675628 0.87 CCR5 (0.45) CCR5NPC1RAB9ACLK1
SCHEMBL7678397 0.87 CCR5 (0.45) CCR5NPC1RAB9ACLK1ALPL
SCHEMBL5209840 0.86 CCR5 (0.44) CCR5NPC1RAB9ACLK1
SCHEMBL5209520 0.86 CCR5 (0.52) CCR5NPC1RAB9ACLK1MAPT
SCHEMBL5208304 0.85 CCR5 (0.45) CCR5NPC1RAB9ACLK1
SCHEMBL7385872 0.83 CA12 (0.47) NPC1RAB9ACLK1PREPPRKCZ
SCHEMBL7382482 0.83 CA12 (0.47) CCR5NPC1RAB9ACLK1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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