SCHEMBL2854553

SCHEMBL2854553

O=C(NCCc1ccccc1F)Oc1cnn(-c2ccc(O)nn2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 1/20 0.38
HIF1A Q16665 7/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
CNR1 P21554 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SCN9A Q15858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
LTA4H P09960 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL2857758 0.85 TRPV1 (0.41) TRPV1MAPK1HIF1ANPC1RAB9A
SCHEMBL2856479 0.85 MAPK1 (0.41) TRPV1MAPK1HIF1ANPC1RAB9A
SCHEMBL2857936 0.85 KDM4E (0.47) TRPV1MAPK1HIF1AKDM4EKMT2A
SCHEMBL2857979 0.84 TRPV1 (0.39) TRPV1MAPK1HIF1ANPC1RAB9A
SCHEMBL2848513 0.83 P2RX7 (0.43) TRPV1MAPK1HIF1AKDM4ESCN9A
SCHEMBL2858012 0.81 CNR1 (0.46) TRPV1MAPK1HIF1ACNR1KDM4E
SCHEMBL2852183 0.79 TAAR1 (0.44) NPC1RAB9AKDM4ELTA4HEPHX2
SCHEMBL2857615 0.77 MTOR (0.37) TRPV1NPC1RAB9A
SCHEMBL2860131 0.74 ALDH1A1 (0.46) KDM4EKMT2A
SCHEMBL2856697 0.74 KDM4E (0.46) TRPV1HIF1ACNR1KDM4E

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