SCHEMBL2856460

SCHEMBL2856460

O=C(NCc1cccc(C(F)(F)F)c1)Oc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 15/20 0.65
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATG4B Q9Y4P1 1/20 0.45
ACHE P22303 2/20 0.45
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2858076 0.92 MAPT (0.56) CCR1MAPTNPC1RAB9ANPSR1
SCHEMBL2861197 0.90 CCR1 (0.51) CCR1MAPTNPC1RAB9ANPSR1
SCHEMBL2856556 0.90 CCR1 (0.54) CCR1
SCHEMBL2853364 0.90 CCR1 (0.52) CCR1MAPTNPC1RAB9ANPSR1
SCHEMBL2853351 0.88 CCR1 (0.62) CCR1NPSR1
SCHEMBL2860247 0.88 CCR1 (0.59) CCR1MAPT
SCHEMBL2849956 0.87 CCR1 (0.62) CCR1MAPTNPSR1ATG4BMEN1
SCHEMBL2856514 0.87 CCR1 (0.49) CCR1MAPTNPC1RAB9ANPSR1
SCHEMBL2856212 0.86 CCR1 (0.47) CCR1MAPTNPC1RAB9ANPSR1
SCHEMBL2854330 0.86 CCR1 (0.52) CCR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed