SCHEMBL13824449

SCHEMBL13824449

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@H](NCC3=CC=C(Cl)CC3)C1)C1C=CC=NC1CO2

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.34

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
SCHEMBL10287990 0.83 CCR1 (0.31) CCR1
SCHEMBL13824458 0.80 CCR1 (0.37) CCR1
SCHEMBL10288008 0.80 CCR1 (0.36) CCR1
SCHEMBL13824496 0.79 CCR1 (0.33) CCR1
SCHEMBL14580316 0.78 CCR1 (0.56) CCR1
SCHEMBL12121906 0.76 CCR1 (0.44) CCR1
SCHEMBL13824513 0.75 CCR1 (0.43) CCR1
SCHEMBL13824453 0.75 CCR1 (0.36) CCR1
SCHEMBL13824527 0.75 CCR1 (0.42) CCR1
SCHEMBL13824493 0.74 CCR1 (0.47) CCR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 — — US disclosed
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