SCHEMBL20354584

SCHEMBL20354584

Cc1ccc2c3ncnc4c5ncnc6c7ccc8c9cc%10c%11ccc(C)c%12c%13c(C)ccc%14c%15ncnc%16c%17ncnc%18c%19ccc%20c%21cc%22c%23ccc(C)c%24c1c2c1c(c34)c(c65)c2c7c8c(c%21c9c3c%20c%19c4c(c%18%17)c(c%15%16)c(c%14%13)c(c%11%12)c4c%103)c%22c2c1c%23%24

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.31
CCR5 P51681 2/20 0.31
CCR8 P51685 2/20 0.31

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
SCHEMBL20348798 0.92 CCR1 (0.38) CCR1CCR5CCR8
SCHEMBL20348782 0.92 CCR1 (0.38) CCR1CCR5CCR8
SCHEMBL16785736 0.89 RPS6KB1 (0.30)
SCHEMBL20354593 0.84 CCR1 (0.30) CCR1CCR5CCR8
SCHEMBL20348787 0.81
SCHEMBL20354538 0.79
SCHEMBL20354523 0.73 CCR1 (0.30) CCR1CCR5CCR8
SCHEMBL20354531 0.71 KDM4E (0.38)
SCHEMBL20348803 0.70
SCHEMBL20354591 0.70 CCR1 (0.32) CCR1CCR5CCR8

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-20180185814-A1 NANOSTRUCTURED COMPOSITES FOR GAS SEPARATION AND STORAGE UNIV CALIFORNIA (US) 2018-07-05 US disclosed