SCHEMBL4608883

SCHEMBL4608883

CC(C)Cn1ncc2cc(Oc3ccc(F)cc3)c(OC(=O)NCCCN(C)c3ccccc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.49
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SCN9A Q15858 1/20 0.36
▸ MCHR2 Q969V1 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NR3C1 P04150 3/20 0.35
▸ FAAH O00519 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL4609146 0.91 MAPK14 (0.57) MAPK14SCN9AMCHR2MCHR1CNR1
SCHEMBL2443317 0.89 MAPK14 (0.63) MAPK14ALOX15TSHRSCN9AMCHR2
SCHEMBL4610566 0.87 MAPK14 (0.62) MAPK14MCHR2MCHR1NR3C1
SCHEMBL4611378 0.84 MAPK14 (0.45) MAPK14MCHR2MCHR1NR3C1MEN1
SCHEMBL4610157 0.80 MAPK14 (0.46) MAPK14SCN9AMCHR2MCHR1
SCHEMBL4611567 0.80 MAPK14 (0.44) MAPK14TSHRSCN9AMEN1KMT2A
SCHEMBL2445182 0.79 MAPK14 (0.73) MAPK14SCN9AMCHR1MEN1KMT2A
SCHEMBL4608950 0.77 MAPK14 (0.48) MAPK14SCN9AMCHR2MCHR1NR3C1
SCHEMBL4609151 0.76 MAPK14 (0.43) MAPK14TSHRSCN9AMCHR2MCHR1
SCHEMBL4609013 0.76 MAPK14 (0.48) MAPK14SCN9ANR3C1

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-1606283-B1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2008-10-08 — — EP claimed
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