SCHEMBL7684955

SCHEMBL7684955

Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCC(C)CC4)cc2)CCO3)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.66
CCR5 P51681 17/20 0.64

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
SCHEMBL5209992 0.93 CCR2 (0.70) CCR2CCR5
SCHEMBL5211261 0.93 CCR2 (0.69) CCR2CCR5
SCHEMBL3026537 0.93 CCR2 (0.77) CCR2CCR5
SCHEMBL5208849 0.93 CCR2 (0.69) CCR2CCR5
SCHEMBL5209844 0.92 CCR5 (0.62) CCR2CCR5
SCHEMBL5238081 0.92 CCR5 (0.72) CCR2CCR5
SCHEMBL5209207 0.91 CCR2 (0.63) CCR2CCR5
SCHEMBL7678734 0.91 CCR2 (0.65) CCR2CCR5
SCHEMBL5209542 0.91 CCR5 (0.72) CCR2CCR5
SCHEMBL5204447 0.90 CCR2 (0.66) CCR2CCR5

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 4 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