SCHEMBL7674643

SCHEMBL7674643

O=C(Nc1ccc(CN2CCCCCC2)cc1)C1=Cc2cc(-c3ccccc3)ccc2CC1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 18/20 0.68
MCHR1 Q99705 1/20 0.55
CXCR5 P32302 1/20 0.53
CXCR3 P49682 1/20 0.53

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
SCHEMBL5208758 1.00 CCR5 (0.68) CCR5MCHR1CXCR5CXCR3
SCHEMBL5211618 0.99 CCR5 (0.69) CCR5MCHR1CXCR5CXCR3
SCHEMBL5205976 0.92 CCR5 (0.58) CCR5MCHR1
SCHEMBL5209488 0.91 CCR5 (0.69) CCR5MCHR1CXCR3
SCHEMBL5203702 0.90 CCR5 (0.69) CCR5CXCR5CXCR3
SCHEMBL5204517 0.90 CCR5 (0.58) CCR5MCHR1
SCHEMBL7674608 0.90 CCR5 (0.69) CCR5CXCR5CXCR3
SCHEMBL5208454 0.87 CCR5 (0.70) CCR5MCHR1CXCR3
SCHEMBL5209767 0.86 CCR5 (0.73) CCR5CXCR5CXCR3
SCHEMBL5207505 0.84 CCR5 (0.74) CCR5CXCR5CXCR3

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 6 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-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