SCHEMBL23447263

SCHEMBL23447263

CCC(=O)CCc1nc(-c2ccc(Cl)cc2F)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.40
HSD11B1 P28845 2/20 0.37
KMO O15229 3/20 0.36
GRIN2B Q13224 1/20 0.35
GRM2 Q14416 3/20 0.34
KCNH2 Q12809 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
AOC3 Q16853 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
SCHEMBL23447255 0.88 CRHR1 (0.52) CRHR1HSD11B1
SCHEMBL25973046 0.85 KDM4E (0.44) CRHR1CYP11B1CYP11B2AOC3
SCHEMBL23447092 0.83 CRHR1 (0.41) CRHR1HSD11B1GRM2
SCHEMBL23447194 0.81 NR1H2 (0.45) CRHR1
SCHEMBL25973005 0.74 CRHR1 (0.48) CRHR1HSD11B1
SCHEMBL23447605 0.72 KCNQ3 (0.37) GRM2AOC3
SCHEMBL23448451 0.71 FFAR1 (0.38)
SCHEMBL10304594 0.71 PDE10A (0.43) CRHR1AOC3
SCHEMBL23447273 0.71 CRHR1 (0.54) CRHR1HSD11B1
SCHEMBL24407596 0.71 PTGDR2 (0.47) KMO

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-2021105101-A1 [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO disclosed