SCHEMBL13824493

SCHEMBL13824493

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(CO)(c3ccc(Cl)cc3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.47
▸ MDM2 Q00987 7/20 0.31
▸ TP53 P04637 5/20 0.31

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
SCHEMBL13617524 0.92 CCR1 (0.46) CCR1MDM2TP53
SCHEMBL12121896 0.92 CCR1 (0.44) CCR1
SCHEMBL13617523 0.90 CCR1 (0.45) CCR1MDM2TP53
SCHEMBL12121894 0.90 CCR1 (0.45) CCR1MDM2TP53
SCHEMBL12121888 0.90 CCR1 (0.45) CCR1MDM2TP53
SCHEMBL13617519 0.89 CCR1 (0.44) CCR1MDM2TP53
SCHEMBL12121901 0.89 CCR1 (0.44) CCR1MDM2TP53
SCHEMBL12121889 0.88 CCR1 (0.44) CCR1MDM2TP53
SCHEMBL10288016 0.88 CCR1 (0.53) CCR1
SCHEMBL12121895 0.87 CCR1 (0.43) CCR1MDM2TP53

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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