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SCHEMBL13824456

SCHEMBL13824456

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(N(CC(=O)O)CC3=CCC(Cl)C=C3)C1)c1cccnc1CO2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.50
▸ CHRM2 P08172 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ HRH1 P35367 6/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ TBXA2R P21731 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
SCHEMBL652856 0.87 CCR1 (0.59) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL10287629 0.87 CCR1 (0.59) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL652857 0.87 CCR1 (0.59) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL14579823 0.87 CCR1 (0.59) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654241 0.83 CCR1 (0.60) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654240 0.83 CCR1 (0.60) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654835 0.81 CCR1 (0.58) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL14420168 0.81 CCR1 (0.58) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL13617528 0.81 CCR1 (0.57) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653647 0.81 CCR1 (0.57) 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
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 — — US disclosed
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