SCHEMBL5205124

SCHEMBL5205124

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.51
MCL1 Q07820 1/20 0.44
CCR7 P32248 1/20 0.41
CCR2 P41597 1/20 0.41
CXCR3 P49682 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
SCHEMBL3499816 0.91 CCR5 (0.53) CCR5MCL1CCR7CCR2CXCR3
SCHEMBL3498958 0.88 CCR5 (0.53) CCR5MCL1
SCHEMBL5209485 0.86 BCL2L1 (0.44) CCR5
SCHEMBL5206478 0.86 MCL1 (0.45) CCR5MCL1CCR7CCR2CXCR3
SCHEMBL27547633 0.81 CCR5 (0.48) CCR5
SCHEMBL8484091 0.78 NOTUM (0.38)
SCHEMBL3499129 0.77 MCL1 (0.40) CCR5MCL1
SCHEMBL5208620 0.77 CCR5 (0.54) CCR5MCL1
SCHEMBL5205525 0.76 MCL1 (0.39) CCR5MCL1
SCHEMBL7929501 0.76 MCL1 (0.39) CCR5MCL1

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-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE 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