SCHEMBL12936663

SCHEMBL12936663

CC(C)C(O)(CCN(C)CC/C=C1/c2cc(C(C)(C)O)ccc2OCc2ncccc21)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.56
▸ CHRM2 P08172 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ HTR2B P41595 1/20 0.40
▸ HRH1 P35367 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PARP1 P09874 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
SCHEMBL14419998 0.86 CCR1 (0.54) CCR1CHRM2CCR5HTR2BHRH1
SCHEMBL13616996 0.81 CCR1 (0.55) CCR1CHRM2CCR5HTR2B
SCHEMBL10288001 0.79 CCR1 (0.56) CCR1CHRM2CCR5HTR2BHRH1
SCHEMBL652907 0.79 CCR1 (0.56) CCR1CHRM2CCR5HTR2BHRH1
SCHEMBL652906 0.79 CCR1 (0.56) CCR1CHRM2CCR5HTR2BHRH1
SCHEMBL10287676 0.79 CCR1 (0.54) CCR1CHRM2CCR5
SCHEMBL436922 0.77 CCR1 (0.59) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL14579805 0.77 CCR1 (0.59) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL436923 0.77 CCR1 (0.59) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL653939 0.77 CCR1 (0.59) CCR1CHRM2CCR5HTR2BPARP1

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-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 — — EP disclosed
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