SCHEMBL2854598

SCHEMBL2854598

O=C(NCCc1ccc(F)cc1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.41
LTA4H P09960 2/20 0.41
EPHX2 P34913 2/20 0.41
MAPT P10636 4/20 0.41
P2RX7 Q99572 1/20 0.40
LMNA P02545 1/20 0.39
GCGR P47871 1/20 0.39
LIPE Q05469 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
FPR2 P25090 1/20 0.36
NR3C1 P04150 1/20 0.36
SMO Q99835 1/20 0.36
TP53 P04637 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
SCHEMBL2863154 0.93 MAPT (0.45) MAPTP2RX7LMNATSHRL3MBTL1
SCHEMBL2852524 0.92 TAAR1 (0.45) TRPV1LTA4HEPHX2MAPTLMNA
SCHEMBL2861752 0.89 MAPT (0.43) MAPTP2RX7LMNATSHRL3MBTL1
SCHEMBL2854309 0.89 MAPT (0.42) MAPTP2RX7LMNATSHRL3MBTL1
SCHEMBL2850857 0.89 TP53 (0.46) MAPTP2RX7LMNATSHRL3MBTL1
SCHEMBL2860458 0.89 TP53 (0.46) MAPTP2RX7LMNATSHRL3MBTL1
SCHEMBL2854346 0.88 MAPT (0.52) MAPTP2RX7LMNAPOLBTSHR
SCHEMBL2856562 0.88 MAPT (0.48) LTA4HEPHX2MAPTP2RX7LMNA
SCHEMBL2860669 0.84 TAAR1 (0.46) MAPTP2RX7LMNATP53
SCHEMBL2855493 0.84 P2RX7 (0.48) TRPV1MAPTP2RX7NR3C1SMO

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