SCHEMBL3244941

SCHEMBL3244941

CC1(C)CN(CCC=C2c3cc(OC(=O)O)ccc3OCc3ncccc32)CC[C@]1(O)c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.74
CHRM2 P08172 1/20 0.55
CCR5 P51681 1/20 0.55
HRH1 P35367 5/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TBXA2R P21731 2/20 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
SCHEMBL3252824 1.00 CCR1 (0.74) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653153 0.93 CCR1 (0.73) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL653152 0.93 CCR1 (0.73) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL651741 0.92 CCR1 (0.69) CCR1CHRM2CCR5
SCHEMBL651742 0.92 CCR1 (0.69) CCR1CHRM2CCR5
SCHEMBL654239 0.91 CCR1 (0.76) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL654238 0.91 CCR1 (0.76) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL10288021 0.91 CCR1 (0.75) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL651828 0.91 CCR1 (0.73) CCR1CHRM2CCR5HRH1ADRA1D
SCHEMBL651827 0.91 CCR1 (0.73) 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