SCHEMBL4416100

SCHEMBL4416100

O=C(O)N[C@@]1(C(=O)C2CC(c3cccc(C(F)(F)F)c3)=NO2)CCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.45
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PIN1 Q13526 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.80 CCR2 (0.43) F10ATML3MBTL1HTT
SCHEMBL1378787 0.77 CCR2 (0.47) F10ATM
SCHEMBL746606 0.77 POLB (0.57) F10ATML3MBTL1HTTNPC1
SCHEMBL1380862 0.75 CCR2 (0.39) F10ATML3MBTL1HTT
SCHEMBL4416623 0.73 F10 (0.36) F10ATML3MBTL1HTTNPC1
SCHEMBL743565 0.73 MIF (0.60) F10ATML3MBTL1HTTNPC1
SCHEMBL18544751 0.69 NPC1 (0.61) F10ATMHTTNPC1LMNA
SCHEMBL4416103 0.68 F10 (0.46) F10ATML3MBTL1HTTNPC1
SCHEMBL4336705 0.68 F10 (0.46) F10ATML3MBTL1HTTNPC1
Hydrochloric Acid SCHEMBL12477936 0.68 NPC1 (0.58) F10ATMHTTNPC1LMNA

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