SCHEMBL23547629

SCHEMBL23547629

CC(=O)NC1CCN(CC(F)(F)F)C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 13/20 0.40
TACR1 P25103 2/20 0.36
LIPG Q9Y5X9 1/20 0.36
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35
FPR2 P25090 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL23571246 1.00 CALCRL (0.40) CALCRLTACR1LIPGCCR2CCR5
SCHEMBL23571238 1.00 CALCRL (0.40) CALCRLTACR1LIPGCCR2CCR5
SCHEMBL15578246 0.86 CALCRL (0.41) CALCRLLIPGFPR2
SCHEMBL12228953 0.86 FPR2 (0.36) TACR1CCR2CCR5FPR2KDM4E
SCHEMBL23571247 0.85 CALCRL (0.39) CALCRLLIPGFPR2
SCHEMBL23570674 0.84 CALCRL (0.39) CALCRLTACR1
SCHEMBL23571256 0.84 CALCRL (0.39) CALCRLTACR1
SCHEMBL23570702 0.84 CALCRL (0.39) CALCRL
SCHEMBL23547576 0.84 CALCRL (0.39) CALCRL
SCHEMBL23547608 0.84 CALCRL (0.39) CALCRL

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
WO-2022263573-A1 ISOXAZOLINE PESTICIDES ELANCO TIERGESUNDHEIT AG (US) 2022-12-22 WO disclosed
WO-2021127188-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES ELANCO TIERGESUNDHEIT AG (CH) 2021-06-24 WO disclosed