SCHEMBL30008913

SCHEMBL30008913

CC(C)(C)OC(=O)N1CC2(C1)OCc1ccccc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.53
MAPK1 P28482 1/20 0.44
NAMPT P43490 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NR1H2 P55055 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL3223037 1.00 AVPR1A (0.53) AVPR1AMAPK1NAMPTHRH3NR1H2
SCHEMBL3232343 0.90 AVPR1A (0.57) AVPR1AMAPK1HRH3
SCHEMBL3231066 0.88 AVPR1A (0.54) AVPR1AMAPK1HRH3
SCHEMBL16864998 0.84 AVPR1A (0.40) AVPR1ANR1H2GPR119ESR2
SCHEMBL20502778 0.84 RORC (0.41) AVPR1ANR1H2ESR2
SCHEMBL12097232 0.83 RORC (0.40) AVPR1ANR1H2ESR2
SCHEMBL21788515 0.83 AVPR1A (0.45) AVPR1ANR1H2ESR2
SCHEMBL12097185 0.83 GPR119 (0.42) AVPR1ANR1H2GPR119ESR2
SCHEMBL29716173 0.83 RORC (0.40) AVPR1ANR1H2ESR2
SCHEMBL25299663 0.83 NR1H2 (0.45) AVPR1ANAMPTNR1H2GPR119

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
CN-115210221-A Isoxazoline derivatives as pesticides 礼蓝动物保健有限公司 2022-10-18 CN disclosed