SCHEMBL5204441

SCHEMBL5204441

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)CC(C)C)cc2)CCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.67
CCR2 P41597 1/20 0.55

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
SCHEMBL5206763 0.90 CCR5 (0.70) CCR5CCR2
SCHEMBL5242677 0.90 CCR5 (0.69) CCR5CCR2
SCHEMBL5244626 0.90 CCR5 (0.66) CCR5CCR2
SCHEMBL5240369 0.89 CCR5 (0.68) CCR5CCR2
Hydrochloric Acid SCHEMBL5246168 0.88 CCR5 (0.64) CCR5CCR2
SCHEMBL7682435 0.87 CCR5 (0.63) CCR5CCR2
SCHEMBL5243431 0.87 CCR5 (0.71) CCR5CCR2
SCHEMBL7676834 0.87 CCR5 (0.63) CCR5CCR2
SCHEMBL5210643 0.87 CCR5 (0.71) CCR5CCR2
SCHEMBL5207949 0.86 CCR5 (0.72) CCR5CCR2

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 5 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