SCHEMBL30970519

SCHEMBL30970519

N#CCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
DAO P14920 1/20 0.43
PDE2A O00408 3/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
POLQ O75417 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.36
KIF11 P52732 1/20 0.36
FFAR1 O14842 2/20 0.35
TSPO P30536 1/20 0.35
DRD3 P35462 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MPL P40238 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL195125 1.00 IDO1 (0.53) IDO1DAOPDE2ARXRARXRB
SCHEMBL29492592 0.85 IDO1 (0.53) IDO1DAOPDE2ARXRARXRB
SCHEMBL952712 0.85 IDO1 (0.53) IDO1DAOPDE2ARXRARXRB
SCHEMBL4961852 0.84 MRGPRX4 (0.47) IDO1DAOPDE2ARXRARXRB
SCHEMBL6902387 0.84 RXRA (0.40) IDO1PDE2ARXRARXRBRXRG
SCHEMBL30858773 0.84 MRGPRX4 (0.47) IDO1DAOPDE2ARXRARXRB
SCHEMBL28196892 0.83 IDO1 (0.54) IDO1DAOPDE2ASLC6A4SLC6A2
SCHEMBL5929043 0.81 RXRA (0.51) IDO1DAORXRARXRBRXRG
SCHEMBL11156664 0.81 RXRA (0.38) IDO1DAORXRARXRBRXRG
SCHEMBL31454497 0.81 RXRA (0.38) IDO1DAORXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115068468-B Carboxylic aromatic amides as bradykinin B1 receptor antagonists 拜耳制药股份公司 2025-02-25 CN disclosed
CN-115137726-B Carboxylic aromatic amides as bradykinin B1 receptor antagonists 拜耳制药股份公司 2024-08-13 CN disclosed