SCHEMBL7208049

SCHEMBL7208049

CCOC(=O)COc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.56
CHRM2 P08172 1/20 0.49
CCR5 P51681 1/20 0.49
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 1/20 0.39
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL7208051 1.00 CCR1 (0.56) CCR1CHRM2CCR5KDM4EALDH1A1
SCHEMBL7212461 0.92 CCR1 (0.62) CCR1CHRM2CCR5KDM4EALDH1A1
SCHEMBL7212465 0.92 CCR1 (0.62) CCR1CHRM2CCR5KDM4EALDH1A1
SCHEMBL10287559 0.91 CCR1 (0.56) CCR1CHRM2CCR5ALDH1A1DRD2
SCHEMBL10288256 0.91 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1DRD2
SCHEMBL10288255 0.91 CCR1 (0.58) CCR1CHRM2CCR5KDM4EDRD2
SCHEMBL13620909 0.91 CCR1 (0.58) CCR1CHRM2CCR5KDM4EDRD2
SCHEMBL10287589 0.90 CCR1 (0.57) CCR1CHRM2CCR5ALDH1A1DRD2
SCHEMBL13824392 0.90 CCR1 (0.56) CCR1CHRM2CCR5ALDH1A1DRD2
SCHEMBL14579625 0.90 CCR1 (0.57) CCR1CHRM2CCR5DRD2DRD3

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-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 US disclosed