SCHEMBL5205976

SCHEMBL5205976

O=C(Nc1ccc(CN2CCCCC2)cc1)C1=Cc2cc(-c3ccc(F)cc3)ccc2CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.58
MCHR1 Q99705 3/20 0.58
HTR2C P28335 2/20 0.57

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
SCHEMBL7674643 0.92 CCR5 (0.68) CCR5MCHR1
SCHEMBL5208758 0.92 CCR5 (0.68) CCR5MCHR1
SCHEMBL5209488 0.91 CCR5 (0.69) CCR5MCHR1
SCHEMBL5211618 0.91 CCR5 (0.69) CCR5MCHR1
SCHEMBL5208454 0.87 CCR5 (0.70) CCR5MCHR1
SCHEMBL7682099 0.83 CCR5 (0.64) CCR5
SCHEMBL5203702 0.83 CCR5 (0.69) CCR5
SCHEMBL7674608 0.83 CCR5 (0.69) CCR5
SCHEMBL5204517 0.83 CCR5 (0.58) CCR5MCHR1
SCHEMBL5206461 0.82 CCR5 (0.58) CCR5MCHR1

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-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