SCHEMBL29416724

SCHEMBL29416724

CC#CCOc1cc(N2CC(C)CC(C)C2)nc(F)n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ADAM17 P78536 1/20 0.30
CHRM3 P20309 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL123315 1.00 TSHR (0.32) TSHRHTTTDP1LMNAGAA
SCHEMBL82974 0.81 ACACB (0.36) ADAM17
SCHEMBL82973 0.81 ACACB (0.36) ADAM17
SCHEMBL82959 0.81 ACACB (0.36) ADAM17
SCHEMBL84342 0.81 ACACB (0.36) ADAM17
SCHEMBL83707 0.72 PDE1B (0.31) LMNA
SCHEMBL83494 0.70 ACACB (0.38) ADAM17
SCHEMBL83874 0.70 ACACB (0.38) TSHRHTTTDP1
SCHEMBL83556 0.69 PDE1B (0.41) LMNA
SCHEMBL394832 0.69 PDE1B (0.41) LMNA

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-114573573-A Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-06-03 CN disclosed
CN-109068651-B Antiparasitic isoxazoline compounds, long-acting injectable formulations containing them, methods and uses thereof 勃林格殷格翰动物保健美国公司 2022-03-01 CN disclosed