SCHEMBL3728256

SCHEMBL3728256

CN(C(=O)C1(NC(=O)Oc2cncnc2)CC1)c1ncc(Oc2ccccc2C(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.37
KDM4C Q9H3R0 1/20 0.32
FAAH O00519 3/20 0.32
TRPV1 Q8NER1 2/20 0.32
AXL P30530 1/20 0.32
CDK8 P49336 1/20 0.31
NOTUM Q6P988 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
NR3C1 P04150 1/20 0.31
PTK2 Q05397 2/20 0.31
RBP4 P02753 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL3719023 0.90 FAAH (0.33) P2RY1KDM4CFAAHTRPV1NOTUM
SCHEMBL3723411 0.83 BDKRB1 (0.44)
SCHEMBL3722860 0.80 GAA (0.33) FAAHTRPV1
SCHEMBL3795493 0.79 GAA (0.34) FAAHTRPV1
SCHEMBL185223 0.79 FAAH (0.35) FAAHTRPV1SLC22A12ITGB1ITGA4
SCHEMBL185386 0.79 LCK (0.37) FAAHTRPV1
SCHEMBL3726047 0.78 BDKRB1 (0.42)
SCHEMBL186120 0.77 JAK1 (0.34) FAAHTRPV1CDK8
SCHEMBL3719959 0.76 TRPV1 (0.37) FAAHTRPV1NOTUM
SCHEMBL14856612 0.76 MAPK10 (0.33) FAAHTRPV1

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
WO-2010097373-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed