SCHEMBL14420171

SCHEMBL14420171

CC(C)CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(CC/C=C2/C3=C(C=CC(C(C)(C)O)C3)OCc3ncccc32)C1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.40
▸ CHRM2 P08172 1/20 0.36
▸ CCR5 P51681 1/20 0.36

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
SCHEMBL14419996 0.84 CCR1 (0.43) CCR1CHRM2CCR5
SCHEMBL12121697 0.83 CCR1 (0.43) CCR1CHRM2CCR5
SCHEMBL652819 0.83 CCR1 (0.60) CCR1CHRM2CCR5
SCHEMBL10288003 0.83 CCR1 (0.60) CCR1CHRM2CCR5
SCHEMBL654801 0.83 CCR1 (0.60) CCR1CHRM2CCR5
SCHEMBL13824460 0.82 CCR1 (0.38) CCR1CHRM2CCR5
SCHEMBL13824452 0.80 CCR1 (0.42) CCR1CHRM2CCR5
SCHEMBL14420040 0.79 CCR1 (0.41) CCR1CHRM2CCR5
SCHEMBL10288005 0.78 CCR1 (0.42) CCR1CHRM2CCR5
SCHEMBL12121694 0.77 CCR1 (0.40) CCR1CHRM2CCR5

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-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 — — US disclosed
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