SCHEMBL25527740

SCHEMBL25527740

COc1c(N)cccc1N1CCC(F)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA2C P18825 1/20 0.44
KEAP1 Q14145 1/20 0.42
LRRK2 Q5S007 3/20 0.38
HTR3A P46098 2/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ADRB1 P08588 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR6 P50406 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HTR1A P08908 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL13733122 0.86 GAA (0.47) GAAMEN1USP2KMT2AADRA2C
SCHEMBL3727253 0.83 LGMN (0.45) GAAMEN1KMT2AADRA2CMAPT
SCHEMBL30923161 0.82 KEAP1 (0.59) GAAMEN1USP2KMT2AADRA2C
SCHEMBL3433100 0.81 ADRA2C (0.64) GAAKMT2AADRA2CHTR3ADRD2
SCHEMBL30393203 0.80 GAA (0.42) GAAMEN1USP2KMT2AADRA2C
SCHEMBL23379453 0.79 GAA (0.72) GAAMEN1USP2KMT2AADRA2C
SCHEMBL30108629 0.79 GAA (0.72) GAAMEN1USP2KMT2AADRA2C
Hydrochloric Acid SCHEMBL6354856 0.79 ADRA2C (0.62) GAAKMT2AADRA2CHTR3ADRD2
SCHEMBL24130679 0.77 JAK2 (0.45) GAAMEN1USP2KMT2AADRA2C
SCHEMBL17265362 0.74 GAA (0.40) GAAMEN1USP2KMT2AHTR3A

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-2023078411-A1 AZASPIRO COMPOUND 南京明德新药研发有限公司 2023-05-11 WO disclosed