SCHEMBL3250399

SCHEMBL3250399

CC1(C)CN(CCC=C2c3cc(OC(=O)O)ccc3OCc3c2ccc[n+]3[O-])CC[C@@]1(O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 13/20 0.55
▸ CHRM2 P08172 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ HRH1 P35367 5/20 0.34
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33

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
SCHEMBL3249326 1.00 CCR1 (0.55) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL2200099 0.90 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL14703475 0.90 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL2200706 0.90 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL2201838 0.90 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL2200251 0.90 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL13620885 0.90 CCR1 (0.57) CCR1CHRM2CCR5HRH1
SCHEMBL656152 0.88 CCR1 (0.57) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL6859704 0.87 CCR1 (0.57) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL3244941 0.86 CCR1 (0.74) 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-1669356-B1 CCR1 Antagonists for the treatment of i.a demyelinating inflammatory disease MILLENNIUM PHARM INC (US) 2010-05-19 — — EP claimed
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