SCHEMBL16660435

SCHEMBL16660435

O[C@@H](CBr)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
FAAH O00519 6/20 0.41
FFAR1 O14842 1/20 0.39
PNMT P11086 1/20 0.39
SLC7A5 Q01650 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE2A O00408 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
KDM1A O60341 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
SCHEMBL29239986 0.86 PTPN7 (0.40) FAAHPNMTPDE2ATRPV1
SCHEMBL29239988 0.86 PTPN7 (0.40) FAAHPNMTPDE2ATRPV1
SCHEMBL18290662 0.83 PDE2A (0.49) KIF11FAAHFFAR1PDE2ATRPV1
SCHEMBL12497282 0.81 SLC7A5 (0.43) KIF11FAAHFFAR1PNMTSLC7A5
SCHEMBL8130819 0.80 CES2 (0.46) FAAH
SCHEMBL28196899 0.79 ADRA2A (0.60) FAAH
SCHEMBL28196898 0.79 ADRA2A (0.60) FAAH
SCHEMBL12498064 0.79 KIF11 (0.43) KIF11FAAHFFAR1TRPM8PDE2A
SCHEMBL12498061 0.79 KIF11 (0.43) KIF11FAAHFFAR1TRPM8PDE2A
SCHEMBL703244 0.77 KIF11 (0.46) KIF11FFAR1PDE2ATRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed