SCHEMBL3628772

SCHEMBL3628772

Cc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1c1ccc(NC2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.38
PREP P48147 2/20 0.35
KMT2A Q03164 2/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
RORC P51449 1/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
MAPK1 P28482 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
SCHEMBL3343277 1.00 CCR5 (0.38) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL18790097 0.93 CCR5 (0.40) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL2563376 0.93 CCR5 (0.40) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL2586526 0.93 CCR5 (0.40) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL18532541 0.93 CCR5 (0.40) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL2579732 0.92 CCR5 (0.39) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL17066435 0.89 POLB (0.38) CCR5ALDH1A1LMNAMAPTRAB9A
SCHEMBL13060153 0.88 GAA (0.40) KMT2AALDH1A1MAPTRAB9A
SCHEMBL20971890 0.87 CCR5 (0.35) CCR5PREPKMT2AHCRTR1HCRTR2
SCHEMBL20971889 0.87 PREP (0.36) CCR5PREPKMT2AHCRTR1HCRTR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585064-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2013-05-01 EP disclosed
WO-2011163640-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2011-12-29 WO disclosed
WO-2010075257-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-07-01 WO disclosed