SCHEMBL5209520

SCHEMBL5209520

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.52
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL7675628 0.90 CCR5 (0.45) CCR5NPC1CLK1RAB9A
SCHEMBL5208304 0.88 CCR5 (0.45) CCR5NPC1CLK1RAB9A
SCHEMBL7675716 0.87 CCR5 (0.52) CCR5NPC1CLK1RAB9AMAPT
SCHEMBL7679128 0.86 CCR5 (0.46) CCR5NPC1CLK1RAB9AMAPT
SCHEMBL5551191 0.85 CCR5 (0.55) CCR5NPC1CLK1RAB9A
SCHEMBL7678397 0.84 CCR5 (0.45) CCR5NPC1CLK1RAB9AMAPT
SCHEMBL5206739 0.83 CCR5 (0.53) CCR5NPC1RAB9AKMT2A
SCHEMBL5209840 0.83 CCR5 (0.44) CCR5NPC1CLK1RAB9A
SCHEMBL7388942 0.82 ALOX5 (0.43) CCR5NPC1CLK1RAB9AKDM4E
SCHEMBL7382482 0.81 CA12 (0.47) CCR5NPC1CLK1RAB9AKDM4E

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 7 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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed