SCHEMBL2580248

SCHEMBL2580248

Cc1cccc(F)c1C(=O)N1CCCC(C(=O)O)C1c1ccc(CN2CCC[C@@H]2C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.36
OPRM1 P35372 10/20 0.36
OPRD1 P41143 8/20 0.36
GRM2 Q14416 1/20 0.35
RAB9A P51151 1/20 0.35
PREP P48147 1/20 0.34
PDK1 Q15118 1/20 0.34
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
CCR5 P51681 1/20 0.33
SCN3A Q9NY46 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
SCHEMBL2585472 1.00 OPRK1 (0.36) OPRK1OPRM1OPRD1GRM2RAB9A
SCHEMBL9999451 1.00 OPRK1 (0.36) OPRK1OPRM1OPRD1GRM2RAB9A
SCHEMBL2585476 1.00 OPRK1 (0.36) OPRK1OPRM1OPRD1GRM2RAB9A
SCHEMBL15088286 0.88 ALDH1A1 (0.37) OPRK1OPRM1OPRD1RAB9A
SCHEMBL14960553 0.86 GAA (0.37) OPRK1OPRM1OPRD1RAB9A
SCHEMBL20879833 0.86 GAA (0.37) OPRK1OPRM1OPRD1RAB9A
SCHEMBL19151894 0.86 GAA (0.37) OPRK1OPRM1OPRD1RAB9A
SCHEMBL13327003 0.86 GAA (0.37) OPRK1OPRM1OPRD1RAB9A
SCHEMBL18532628 0.86 ALDH1A1 (0.36)
SCHEMBL12176092 0.86 ALDH1A1 (0.41) OPRK1

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 4 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
EP-2381778-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2011-11-02 EP disclosed
WO-2010075257-A1 C5AR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2010-07-01 WO disclosed