SCHEMBL4416623

SCHEMBL4416623

O=C(C1CC(c2cccc(C(F)(F)F)c2)=NO1)[C@]1(NC2CCC(O)CC2c2ncccc2-c2ncco2)CCNC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.36
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
RPS6KA3 P51812 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM1A O60341 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL1378644 0.73 CCR2 (0.43) F10ATMHTTL3MBTL1
SCHEMBL4416100 0.73 F10 (0.45) F10NPC1ATMHTTL3MBTL1
SCHEMBL1378787 0.71 CCR2 (0.47) F10ATM
SCHEMBL1380862 0.67 CCR2 (0.39) F10ATMHTTL3MBTL1
SCHEMBL746606 0.61 POLB (0.57) F10NPC1ATMHTTL3MBTL1
SCHEMBL5241225 0.61 CCR2 (0.44)
SCHEMBL743565 0.60 MIF (0.60) F10NPC1ATMHTTL3MBTL1
SCHEMBL4340207 0.59 CCR2 (0.68)
SCHEMBL6469155 0.59 CCR2 (0.68)
SCHEMBL18544751 0.57 NPC1 (0.61) F10NPC1ATMHTTALDH1A1

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-1696919-A4 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2009-07-01 EP claimed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 EP claimed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 WO claimed