SCHEMBL13824497

SCHEMBL13824497

COC1(c2ccc(Cl)cc2)CCN(CC/C=C2/c3cc(C(C)(C)O)ccc3OCC3N=CC=CC23)CC1(C)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.48
▸ TP53 P04637 1/20 0.30
▸ MDM2 Q00987 1/20 0.30

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
SCHEMBL10288016 0.86 CCR1 (0.53) CCR1
SCHEMBL13616997 0.86 CCR1 (0.51) CCR1
SCHEMBL13617524 0.86 CCR1 (0.46) CCR1TP53MDM2
SCHEMBL10287984 0.85 CCR1 (0.51) CCR1
SCHEMBL13617525 0.85 CCR1 (0.44) CCR1TP53
SCHEMBL13824493 0.85 CCR1 (0.47) CCR1TP53MDM2
SCHEMBL13824527 0.85 CCR1 (0.42) CCR1TP53MDM2
SCHEMBL12121895 0.84 CCR1 (0.43) CCR1TP53MDM2
SCHEMBL12121889 0.84 CCR1 (0.44) CCR1TP53MDM2
SCHEMBL12121888 0.84 CCR1 (0.45) CCR1TP53MDM2

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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