SCHEMBL5703572

SCHEMBL5703572

CC(C)(O)c1ccc2c(c1)C(=CCCN1CCC(O)(c3ccc(Cl)cc3)C(C)(CO)C1)C1=CC=CCN1CO2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.58
▸ CHRM2 P08172 1/20 0.32
▸ CCR5 P51681 1/20 0.32

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
SCHEMBL6859736 0.84 CCR1 (0.49) CCR1CHRM2CCR5
SCHEMBL3250560 0.81 CCR1 (0.50) CCR1CHRM2CCR5
SCHEMBL1276527 0.81 CCR1 (0.87) CCR1CHRM2CCR5
SCHEMBL651958 0.81 CCR1 (0.87) CCR1CHRM2CCR5
SCHEMBL10288018 0.81 CCR1 (0.87) CCR1CHRM2CCR5
SCHEMBL6859353 0.79 CCR1 (0.41) CCR1CHRM2CCR5
SCHEMBL6861133 0.77 CCR1 (0.48) CCR1CHRM2CCR5
SCHEMBL16312671 0.76 CCR1 (0.83) CCR1CHRM2CCR5
SCHEMBL6852936 0.76 CCR1 (0.40) CCR1CHRM2CCR5
SCHEMBL10288016 0.75 CCR1 (0.53) 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
EP-1688418-A2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-09 — — EP disclosed
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