SCHEMBL28522729

SCHEMBL28522729

Clc1ccc2c(n1)CCC2.OBO

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.42
ADRA2B P18089 5/20 0.42
ADRA2C P18825 5/20 0.42
GRM5 P41594 3/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ABHD6 Q9BV23 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PRNP P04156 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAOB P27338 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPC1 O15118 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 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
SCHEMBL30302490 0.92 ADRA2A (0.43) ADRA2AADRA2BADRA2CGRM5HTR2A
SCHEMBL3948096 0.92 ADRA2A (0.43) ADRA2AADRA2BADRA2CGRM5HTR2A
Boric Acid SCHEMBL28522511 0.89 ADRA2A (0.42) ADRA2AADRA2BADRA2CGRM5HTR2A
SCHEMBL2301675 0.88 ADRA2A (0.47) ADRA2AADRA2BADRA2CGRM5HTR2A
SCHEMBL30484407 0.88 ADRA2A (0.47) ADRA2AADRA2BADRA2CGRM5HTR2A
SCHEMBL930529 0.86 ADRA2A (0.46) ADRA2AADRA2BADRA2CGRM5HTR2A
SCHEMBL21468769 0.79 HTR2C (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL3162510 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31184295 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL31587209 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521419-A Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclopentane 南京艾普特生物医药有限公司 2021-03-19 CN claimed
CN-112521420-A Method for synthesizing chiral nitrogen and phosphorus ligand L-8 containing pyridocycloheptane 南京艾普特生物医药有限公司 2021-03-19 CN claimed
CN-112375101-A Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclohexane 南京艾普特生物医药有限公司 2021-02-19 CN claimed
CN-112521419-A Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclopentane 南京艾普特生物医药有限公司 2021-03-19 CN disclosed
CN-112521420-A Method for synthesizing chiral nitrogen and phosphorus ligand L-8 containing pyridocycloheptane 南京艾普特生物医药有限公司 2021-03-19 CN disclosed
CN-112375101-A Method for preparing chiral nitrogen-phosphorus ligand L-8 containing pyridocyclohexane 南京艾普特生物医药有限公司 2021-02-19 CN disclosed