SCHEMBL2848658

SCHEMBL2848658

O=C(NCCc1cccc(C(F)(F)F)c1)Oc1cnn(Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.46
TAAR1 Q96RJ0 2/20 0.45
SCD5 Q86SK9 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
GLA P06280 1/20 0.42
NAMPT P43490 1/20 0.42
MAPK14 Q16539 1/20 0.41
S1PR1 P21453 1/20 0.41
GRK5 P34947 1/20 0.41
CDK8 P49336 1/20 0.41
S1PR5 Q9H228 1/20 0.41
JAK3 P52333 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL2863128 0.87 TAAR1 (0.47) LMNACNR1TAAR1SCD5NPC1
SCHEMBL2852519 0.86 TAAR1 (0.59) TAAR1MEN1KMT2ANPC1GAA
SCHEMBL2854712 0.86 TAAR1 (0.54) CNR1TAAR1MEN1KMT2ANPC1
SCHEMBL2857813 0.84 TAAR1 (0.55) CNR1TAAR1MEN1KMT2ANPC1
SCHEMBL2852630 0.83 TAAR1 (0.52) LMNATAAR1KDM4ENPC1GAA
SCHEMBL2859353 0.81 TAAR1 (0.66) LMNACNR1TAAR1MEN1KMT2A
SCHEMBL2852329 0.81 TAAR1 (0.49) TAAR1KDM4EMEN1KMT2ATRPV1
SCHEMBL2848393 0.80 TAAR1 (0.48) CNR1TAAR1SCD5KDM4EKMT2A
SCHEMBL2860106 0.77 KLKB1 (0.52) SCD5NPC1RAB9A
SCHEMBL2850420 0.76 TAAR1 (0.49) LMNACNR1TAAR1SCD5MEN1

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