SCHEMBL4416103

SCHEMBL4416103

O=C(O)NC1CCN(C(=O)C2CC(c3cccc(C(F)(F)F)c3)=NO2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 4/20 0.45
ATM Q13315 1/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP1 P29466 1/20 0.41
TEAD1 P28347 2/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PLA2G1B P04054 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK10 P53779 1/20 0.40

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
SCHEMBL4336705 1.00 F10 (0.46) F10NPC1RAB9AATMHPGD
SCHEMBL13613024 0.89 NPC1 (0.46) F10NPC1RAB9AATMHPGD
SCHEMBL13613021 0.85 F10 (0.48) F10NPC1RAB9AATMHPGD
SCHEMBL15760364 0.85 RAB9A (0.57) F10NPC1RAB9AATMHPGD
Hydrochloric Acid SCHEMBL4416432 0.84 F10 (0.47) F10NPC1RAB9AATMHPGD
Hydrochloric Acid SCHEMBL4329701 0.84 F10 (0.47) F10NPC1RAB9AATMHPGD
SCHEMBL18544751 0.82 NPC1 (0.61) F10NPC1RAB9AATMHPGD
Hydrochloric Acid SCHEMBL12477936 0.80 NPC1 (0.58) F10NPC1RAB9AATMHPGD
SCHEMBL1378641 0.79 CCR2 (0.61)
SCHEMBL1378645 0.79 CCR2 (0.61)

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