SCHEMBL18896011

SCHEMBL18896011

CC(C)CN(Cc1ccc(Cl)cc1)[C@@H]1CCN(CC/C=C2\C3=CC=CNC3COc3ccc(C(C)(C)O)cc32)C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.37
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ MCHR1 Q99705 1/20 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
SCHEMBL18633820 0.88 CCR1 (0.37) CCR1MCHR1
SCHEMBL18895955 0.88 CCR1 (0.38) CCR1
SCHEMBL18895954 0.86 CCR1 (0.37) CCR1
SCHEMBL13824459 0.83 CCR1 (0.40) CCR1
SCHEMBL18633826 0.83 CHRM2 (0.39) CCR1MCHR1
SCHEMBL18896010 0.83 CCR1 (0.39) CCR1
SCHEMBL13824447 0.83 CCR1 (0.39) CCR1
SCHEMBL18895959 0.82 CCR1 (0.34) CCR1
SCHEMBL16312655 0.81 CCR1 (0.33) CCR1
SCHEMBL654801 0.80 CCR1 (0.60) CCR1MCHR1

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-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
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