SCHEMBL18633828

SCHEMBL18633828

CN(C(=O)C1CCN(CC/C=C2/c3cc(C(C)(C)O)ccc3OCc3ncccc32)C1)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.62
▸ CHRM2 P08172 1/20 0.51
▸ CCR5 P51681 1/20 0.51
▸ PDK2 Q15119 4/20 0.36
▸ HRH1 P35367 3/20 0.33
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL656127 0.93 CCR1 (0.62) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL15478419 0.93 CCR1 (0.62) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL3836896 0.86 CCR1 (0.60) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL3836897 0.86 CCR1 (0.60) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655908 0.86 CCR1 (0.66) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL14420172 0.86 CCR1 (0.66) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL655909 0.86 CCR1 (0.66) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL656144 0.85 CCR1 (0.63) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL656143 0.85 CCR1 (0.63) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL656470 0.83 CCR1 (0.65) CCR1CHRM2CCR5HRH1ADRA1D

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-1688418-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2017-03-15 — — EP disclosed
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