SCHEMBL2858076

SCHEMBL2858076

O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Oc1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CCR1 P32246 9/20 0.54
ACHE P22303 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 2/20 0.39
IDO1 P14902 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL2856460 0.92 CCR1 (0.65) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2857994 0.89 MTOR (0.46) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2861197 0.89 CCR1 (0.51) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2863210 0.88 CCR1 (0.50) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2854244 0.87 ACHE (0.52) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2853270 0.87 CCR1 (0.51) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2856212 0.86 CCR1 (0.47) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2857073 0.86 CCR1 (0.48) MAPTCCR1TACR1
SCHEMBL2853364 0.85 CCR1 (0.52) MAPTNPC1RAB9ANPSR1CCR1
SCHEMBL2852545 0.85 NPBWR1 (0.42) NPSR1CCR1

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